methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate

C14H13ClFN3O2 — CID 140623371

IUPACmethyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)cc(F)c2N)cc(N)c1Cl
InChIInChI=1S/C14H13ClFN3O2/c1-6-3-7(12(18)8(16)4-6)10-5-9(17)11(15)13(19-10)14(20)21-2/h3-5H,18H2,1-2H3,(H2,17,19)
InChIKeyQZNHCAGWCJXWAV-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.80
Rot. Bonds2

About methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate

methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate (PubChem CID 140623371) has the molecular formula C14H13ClFN3O2 and a molecular weight of 309.73 g/mol. Its IUPAC name is methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
PubChem CID140623371
Molecular FormulaC14H13ClFN3O2
Molecular Weight309.73 g/mol
Exact Mass309.07
IUPAC Namemethyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2cc(C)cc(F)c2N)cc(N)c1Cl
InChIInChI=1S/C14H13ClFN3O2/c1-6-3-7(12(18)8(16)4-6)10-5-9(17)11(15)13(19-10)14(20)21-2/h3-5H,18H2,1-2H3,(H2,17,19)
InChIKeyQZNHCAGWCJXWAV-UHFFFAOYSA-N
XLogP2.80
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355
methyl 4-amino-6-(2-amino-3-chloro-5-nitrophenyl)-3-chloropyridine-2-carboxylate
CID 67974580
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 4-amino-3-chloro-6-[4-chloro-5-(dimethylamino)-2-fluorophenyl]pyridine-2-carboxylate
CID 68600303
methyl 4-amino-3-chloro-6-(3,4-dichloro-2-methylphenyl)pyridine-2-carboxylate
CID 90441363
methyl 4-amino-3-chloro-6-[4-chloro-2-fluoro-3-(methylamino)phenyl]pyridine-2-carboxylate
CID 68598377
methyl 4-amino-3-chloro-6-(5-methyl-1,3-thiazol-2-yl)pyridine-2-carboxylate
CID 22677456
methyl 4-amino-3-chloro-6-(4-chloro-2-fluoro-3-formylphenyl)pyridine-2-carboxylate
CID 129168945
methyl 4-amino-3-chloro-6-(4-chloro-2-ethyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90441333
methyl 4-amino-6-(4-chloro-2-fluorophenyl)-3-methoxypyridine-2-carboxylate
CID 71150711
methyl 4-amino-3-chloro-6-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyridine-2-carboxylate
CID 90437775
methyl 4-amino-3-chloro-6-(4-chloro-2-ethenyl-3-fluorophenyl)pyridine-2-carboxylate
CID 90415314

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate (CID 140623371) is methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate is COC(=O)c1nc(-c2cc(C)cc(F)c2N)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate?
The InChIKey is QZNHCAGWCJXWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3O2/c1-6-3-7(12(18)8(16)4-6)10-5-9(17)11(15)13(19-10)14(20)21-2/h3-5H,18H2,1-2H3,(H2,17,19).
What are the key properties of methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate?
methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate has a molecular weight of 309.73 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(2-amino-3-fluoro-5-methylphenyl)-3-chloropyridine-2-carboxylate is sourced from PubChem (CID 140623371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).