methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride

C70H72Cl4N15O27P — CID 157456514

IUPACmethane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride
SMILESC.C.C.C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(Nc2ccc(O)cc2)c(N)c1.COC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)ncn2-c1ccc(O)cc1.O=C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1.O=C(O)c1ccc(=O)[nH]c1.O=P(Cl)(Cl)Cl.O=[N+]([O-])O
InChIInChI=1S/C20H17N3O5.C14H11N3O3.C13H13N3O3.C7H5ClN2O4.C6H4N2O5.C6H5NO3.4CH4.Cl3OP.HNO3/c1-27-20(24)15-11-18(23(25)26)19(21-12-15)22-16-7-9-17(10-8-16)28-13-14-5-3-2-4-6-14;1-20-14(19)9-6-12-13(15-7-9)17(8-16-12)10-2-4-11(18)5-3-10;1-19-13(18)8-6-11(14)12(15-7-8)16-9-2-4-10(17)5-3-9;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;9-5-4(8(12)13)1-3(2-7-5)6(10)11;8-5-2-1-4(3-7-5)6(9)10;;;;;1-5(2,3)4;2-1(3)4/h2-12H,13H2,1H3,(H,21,22);2-8,18H,1H3;2-7,17H,14H2,1H3,(H,15,16);2-3H,1H3;1-2H,(H,7,9)(H,10,11);1-3H,(H,7,8)(H,9,10);4*1H4;;(H,2,3,4)
InChIKeyINTNWZQUFJWYAX-UHFFFAOYSA-N
MW1728.21 g/mol
LogP14.40
Rot. Bonds17

About methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride

methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride (PubChem CID 157456514) has the molecular formula C70H72Cl4N15O27P and a molecular weight of 1728.21 g/mol. Its IUPAC name is methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride.

Molecular Properties

Compound Namemethane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride
PubChem CID157456514
Molecular FormulaC70H72Cl4N15O27P
Molecular Weight1728.21 g/mol
Exact Mass1725.32
IUPAC Namemethane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride
SMILESC.C.C.C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(Nc2ccc(O)cc2)c(N)c1.COC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)ncn2-c1ccc(O)cc1.O=C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1.O=C(O)c1ccc(=O)[nH]c1.O=P(Cl)(Cl)Cl.O=[N+]([O-])O
InChIInChI=1S/C20H17N3O5.C14H11N3O3.C13H13N3O3.C7H5ClN2O4.C6H4N2O5.C6H5NO3.4CH4.Cl3OP.HNO3/c1-27-20(24)15-11-18(23(25)26)19(21-12-15)22-16-7-9-17(10-8-16)28-13-14-5-3-2-4-6-14;1-20-14(19)9-6-12-13(15-7-9)17(8-16-12)10-2-4-11(18)5-3-10;1-19-13(18)8-6-11(14)12(15-7-8)16-9-2-4-10(17)5-3-9;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;9-5-4(8(12)13)1-3(2-7-5)6(10)11;8-5-2-1-4(3-7-5)6(9)10;;;;;1-5(2,3)4;2-1(3)4/h2-12H,13H2,1H3,(H,21,22);2-8,18H,1H3;2-7,17H,14H2,1H3,(H,15,16);2-3H,1H3;1-2H,(H,7,9)(H,10,11);1-3H,(H,7,8)(H,9,10);4*1H4;;(H,2,3,4)
InChIKeyINTNWZQUFJWYAX-UHFFFAOYSA-N
XLogP14.40
TPSA624.53 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds17
Heavy Atoms117
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001728.21
LogP ≤ 514.40
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride with MolForge

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Related Compounds

2-chloro-5-methyl-3-nitropyridine;cyclohexanamine;2-N-cyclohexyl-5-methylpyridine-2,3-diamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid
CID 90849466
methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride
CID 157109785
(2-Chloro-6-methyl-4-pyridinyl)methanol;methyl 2-chloro-6-methylpyridine-4-carboxylate;6-methyl-4-[[4-[4-(2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)phenoxy]piperidin-1-yl]methyl]pyridin-2-amine
CID 157519487
6-Chloro-5-nitropyridine-3-carboxylic acid;methyl 5-amino-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 5-[(4-methylbenzoyl)amino]-6-(propan-2-ylamino)pyridine-3-carboxylate;methyl 2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(propan-2-ylamino)pyridine-3-carboxylate;2-(4-methylphenyl)-3-propan-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 160709751
cyclohexanamine;3-cyclohexyl-2-pyridin-2-ylimidazo[4,5-b]pyridine-6-carboxylic acid;ethyl 5-amino-6-(cyclohexylamino)pyridine-3-carboxylate;ethyl 6-chloro-5-nitropyridine-3-carboxylate;6-oxo-1H-pyridine-3-carboxylic acid
CID 161874776
5-Amino-6-(4-ethoxyanilino)pyridine-3-carboxylic acid;6-chloro-5-nitropyridine-3-carboxylic acid;6-(4-ethoxyanilino)-5-nitropyridine-3-carboxylic acid;3-(4-ethoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;hydron;methanol
CID 162162102
Lithium;2-isocyanoacetic acid;2-(isocyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid;methyl 5-amino-6-(4-methoxyanilino)pyridine-3-carboxylate;methyl 5-[(2-isocyanoacetyl)amino]-6-(4-methoxyanilino)pyridine-3-carboxylate;methyl 2-(isocyanomethyl)-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;hydroxide
CID 165002727

Frequently Asked Questions

What is the IUPAC name of methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride?
The IUPAC name of methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride (CID 157456514) is methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride.
What is the SMILES notation for methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride?
The canonical SMILES for methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride is C.C.C.C.COC(=O)c1cnc(Cl)c([N+](=O)[O-])c1.COC(=O)c1cnc(Nc2ccc(O)cc2)c(N)c1.COC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1.COC(=O)c1cnc2c(c1)ncn2-c1ccc(O)cc1.O=C(O)c1c[nH]c(=O)c([N+](=O)[O-])c1.O=C(O)c1ccc(=O)[nH]c1.O=P(Cl)(Cl)Cl.O=[N+]([O-])O.
What is the InChIKey of methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride?
The InChIKey is INTNWZQUFJWYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O5.C14H11N3O3.C13H13N3O3.C7H5ClN2O4.C6H4N2O5.C6H5NO3.4CH4.Cl3OP.HNO3/c1-27-20(24)15-11-18(23(25)26)19(21-12-15)22-16-7-9-17(10-8-16)28-13-14-5-3-2-4-6-14;1-20-14(19)9-6-12-13(15-7-9)17(8-16-12)10-2-4-11(18)5-3-10;1-19-13(18)8-6-11(14)12(15-7-8)16-9-2-4-10(17)5-3-9;1-14-7(11)4-2-5(10(12)13)6(8)9-3-4;9-5-4(8(12)13)1-3(2-7-5)6(10)11;8-5-2-1-4(3-7-5)6(9)10;;;;;1-5(2,3)4;2-1(3)4/h2-12H,13H2,1H3,(H,21,22);2-8,18H,1H3;2-7,17H,14H2,1H3,(H,15,16);2-3H,1H3;1-2H,(H,7,9)(H,10,11);1-3H,(H,7,8)(H,9,10);4*1H4;;(H,2,3,4).
What are the key properties of methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride?
methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride has a molecular weight of 1728.21 g/mol, XLogP of 14.40, 17 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 5-amino-6-(4-hydroxyanilino)pyridine-3-carboxylate;methyl 6-chloro-5-nitropyridine-3-carboxylate;methyl 3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylate;methyl 5-nitro-6-(4-phenylmethoxyanilino)pyridine-3-carboxylate;nitric acid;5-nitro-6-oxo-1H-pyridine-3-carboxylic acid;6-oxo-1H-pyridine-3-carboxylic acid;phosphoryl trichloride is sourced from PubChem (CID 157456514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).