methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate

C12H9Cl2N3O2 — CID 22677295

IUPACmethyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)nc2)cc(N)c1Cl
InChIInChI=1S/C12H9Cl2N3O2/c1-19-12(18)11-10(14)7(15)4-8(17-11)6-2-3-9(13)16-5-6/h2-5H,1H3,(H2,15,17)
InChIKeyQKHOVFYLNMLNHD-UHFFFAOYSA-N
MW298.13 g/mol
LogP2.82
Rot. Bonds2

About methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate (PubChem CID 22677295) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
PubChem CID22677295
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Namemethyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)nc2)cc(N)c1Cl
InChIInChI=1S/C12H9Cl2N3O2/c1-19-12(18)11-10(14)7(15)4-8(17-11)6-2-3-9(13)16-5-6/h2-5H,1H3,(H2,15,17)
InChIKeyQKHOVFYLNMLNHD-UHFFFAOYSA-N
XLogP2.82
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylic acid
CID 22677268
methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
CID 22677522
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 22677364
methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
CID 90450989
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloropyridine-2-carboxylate
CID 22677261
methyl 4-amino-6-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-3-chloropyridine-2-carboxylate
CID 68600822
methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate
CID 22677487
methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
CID 22677456
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
CID 147920792
CID 147920792

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate (CID 22677295) is methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)nc2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate?
The InChIKey is QKHOVFYLNMLNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-19-12(18)11-10(14)7(15)4-8(17-11)6-2-3-9(13)16-5-6/h2-5H,1H3,(H2,15,17).
What are the key properties of methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate has a molecular weight of 298.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate is sourced from PubChem (CID 22677295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).