methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate

C14H12ClFN2O2 — CID 59432126

IUPACmethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C
InChIInChI=1S/C14H12ClFN2O2/c1-7-11(17)10(16)13(18-12(7)14(19)20-2)8-3-5-9(15)6-4-8/h3-6H,1-2H3,(H2,17,18)
InChIKeyIUMQWIIDECJGRL-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.22
Rot. Bonds2

About methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate

methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate (PubChem CID 59432126) has the molecular formula C14H12ClFN2O2 and a molecular weight of 294.71 g/mol. Its IUPAC name is methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
PubChem CID59432126
Molecular FormulaC14H12ClFN2O2
Molecular Weight294.71 g/mol
Exact Mass294.06
IUPAC Namemethyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C
InChIInChI=1S/C14H12ClFN2O2/c1-7-11(17)10(16)13(18-12(7)14(19)20-2)8-3-5-9(15)6-4-8/h3-6H,1-2H3,(H2,17,18)
InChIKeyIUMQWIIDECJGRL-UHFFFAOYSA-N
XLogP3.22
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(1-fluoroethenyl)pyridine-2-carboxylate
CID 59432141
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70498124
methyl 4-amino-5-fluoro-3-iodo-6-(4-methylphenyl)pyridine-2-carboxylate
CID 144501776
methyl 4-amino-5-fluoro-6-(7-fluoro-1H-indol-6-yl)-3-methylpyridine-2-carboxylate
CID 126609387
methyl 4-amino-6-(4-chloro-3-fluorophenyl)-5-fluoro-3-(2-trimethylsilylethenyl)pyridine-2-carboxylate
CID 70497567
methyl 4-amino-3-chloro-5-fluoro-6-(2-fluoro-4-methylphenyl)pyridine-2-carboxylate
CID 90440258
methyl 3-chloro-5-fluoro-6-(4-iodophenyl)pyridine-2-carboxylate
CID 166584197
methyl 4-amino-5-fluoro-3-methoxy-6-[4-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 71175262
methyl 5-bromo-6-(4-chlorophenyl)-3-(trifluoromethyl)pyrazine-2-carboxylate
CID 86634702
methyl 4-amino-6-(2-chloro-4-methylphenyl)-3,5-difluoropyridine-2-carboxylate
CID 22677382
2-(4-chlorophenyl)-3-fluoro-5-methoxypyridin-4-amine
CID 174787583
methyl 4-amino-3-chloro-5-methyl-6-[6-(trifluoromethyl)-3-pyridinyl]pyridine-2-carboxylate
CID 90415028

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate (CID 59432126) is methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(Cl)cc2)c(F)c(N)c1C.
What is the InChIKey of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate?
The InChIKey is IUMQWIIDECJGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O2/c1-7-11(17)10(16)13(18-12(7)14(19)20-2)8-3-5-9(15)6-4-8/h3-6H,1-2H3,(H2,17,18).
What are the key properties of methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate?
methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate has a molecular weight of 294.71 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-(4-chlorophenyl)-5-fluoro-3-methylpyridine-2-carboxylate is sourced from PubChem (CID 59432126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).