2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid

C13H11FN2O3 — CID 178064933

IUPAC2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(F)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-19-11-5-4-8(14)7-10(11)16-12-9(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBOJYYMVTACGQCO-UHFFFAOYSA-N
MW262.24 g/mol
LogP2.67
Rot. Bonds4

About 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid

2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid (PubChem CID 178064933) has the molecular formula C13H11FN2O3 and a molecular weight of 262.24 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
PubChem CID178064933
Molecular FormulaC13H11FN2O3
Molecular Weight262.24 g/mol
Exact Mass262.08
IUPAC Name2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
SMILESCOc1ccc(F)cc1Nc1ncccc1C(=O)O
InChIInChI=1S/C13H11FN2O3/c1-19-11-5-4-8(14)7-10(11)16-12-9(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyBOJYYMVTACGQCO-UHFFFAOYSA-N
XLogP2.67
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24986465
2-(2,5-dimethoxyanilino)pyridine-3-carboxylate
CID 7130288
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 45423608
(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 29264109
4-[(3-carbamoyl-2-pyridinyl)amino]-2-methoxybenzoic acid
CID 107208966
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
2-(4-chloro-2-methoxy-5-methylanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381743
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid (CID 178064933) is 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid is COc1ccc(F)cc1Nc1ncccc1C(=O)O.
What is the InChIKey of 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is BOJYYMVTACGQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O3/c1-19-11-5-4-8(14)7-10(11)16-12-9(13(17)18)3-2-6-15-12/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid?
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 262.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 178064933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).