4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid

C15H15ClN2O3 — CID 81227803

IUPAC4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H15ClN2O3/c1-8-4-13(14(21-3)6-11(8)16)18-12-5-9(2)17-7-10(12)15(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyGCIHJFXLFQVVLO-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.80
Rot. Bonds4

About 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid

4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid (PubChem CID 81227803) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
PubChem CID81227803
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid
SMILESCOc1cc(Cl)c(C)cc1Nc1cc(C)ncc1C(=O)O
InChIInChI=1S/C15H15ClN2O3/c1-8-4-13(14(21-3)6-11(8)16)18-12-5-9(2)17-7-10(12)15(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20)
InChIKeyGCIHJFXLFQVVLO-UHFFFAOYSA-N
XLogP3.80
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-5-chloro-4-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 104724456
5-chloro-6-(4-chloro-2-methoxy-5-methylanilino)pyridine-3-carboxylic acid
CID 28529893
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
4-(3,5-dichloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233036
3-amino-4-(4-chloro-2-methoxy-5-methylanilino)benzoic acid
CID 60989481
4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270694
6-(4-chloro-2-methoxy-5-methylanilino)-N-phenylpyridine-3-carboxamide
CID 109162131
6-anilino-N-(4-chloro-2-methoxy-5-methylphenyl)pyridine-3-carboxamide
CID 109162100
4-(3-bromo-4-chloroanilino)-6-methylpyridine-3-carboxylic acid
CID 81244235
4-(4-chloro-3-fluoroanilino)-6-methylpyridine-3-carboxylic acid
CID 81233334
5-[(4-chloro-2-methoxy-5-methylanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630567
4-(4-bromo-2,6-dimethylanilino)-6-methylpyridine-3-carboxylic acid
CID 81243842

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid (CID 81227803) is 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid is COc1cc(Cl)c(C)cc1Nc1cc(C)ncc1C(=O)O.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
The InChIKey is GCIHJFXLFQVVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-8-4-13(14(21-3)6-11(8)16)18-12-5-9(2)17-7-10(12)15(19)20/h4-7H,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid?
4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid has a molecular weight of 306.75 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methoxy-5-methylanilino)-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 81227803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).