2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid

C14H12ClFN2O3 — CID 105381743

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12ClFN2O3/c1-7-5-10(11(21-2)6-9(7)15)18-13-12(16)8(14(19)20)3-4-17-13/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyOOXWHQUIQXYUNI-UHFFFAOYSA-N
MW310.71 g/mol
LogP3.63
Rot. Bonds4

About 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid

2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid (PubChem CID 105381743) has the molecular formula C14H12ClFN2O3 and a molecular weight of 310.71 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
PubChem CID105381743
Molecular FormulaC14H12ClFN2O3
Molecular Weight310.71 g/mol
Exact Mass310.05
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1Nc1nccc(C(=O)O)c1F
InChIInChI=1S/C14H12ClFN2O3/c1-7-5-10(11(21-2)6-9(7)15)18-13-12(16)8(14(19)20)3-4-17-13/h3-6H,1-2H3,(H,17,18)(H,19,20)
InChIKeyOOXWHQUIQXYUNI-UHFFFAOYSA-N
XLogP3.63
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.71
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 81227803
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
2-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-2,3-diamine
CID 28846412
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
[4-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109206556
4-(4-chloro-2-methoxy-5-methylanilino)pyridine-2-carbothioamide
CID 62924493
4-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204162
2-(2-cyano-6-methoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 107468706
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
4-(4-chloro-2-methoxy-5-methylanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210740

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid (CID 105381743) is 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid is COc1cc(Cl)c(C)cc1Nc1nccc(C(=O)O)c1F.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid?
The InChIKey is OOXWHQUIQXYUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O3/c1-7-5-10(11(21-2)6-9(7)15)18-13-12(16)8(14(19)20)3-4-17-13/h3-6H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid?
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid has a molecular weight of 310.71 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid is sourced from PubChem (CID 105381743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).