5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid

C13H10ClFN2O3 — CID 114919808

IUPAC5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1ccc(F)c(Nc2cc(C(=O)O)c(Cl)cn2)c1
InChIInChI=1S/C13H10ClFN2O3/c1-20-7-2-3-10(15)11(4-7)17-12-5-8(13(18)19)9(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyCCCOHOLVACFVJK-UHFFFAOYSA-N
MW296.69 g/mol
LogP3.32
Rot. Bonds4

About 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid

5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid (PubChem CID 114919808) has the molecular formula C13H10ClFN2O3 and a molecular weight of 296.69 g/mol. Its IUPAC name is 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
PubChem CID114919808
Molecular FormulaC13H10ClFN2O3
Molecular Weight296.69 g/mol
Exact Mass296.04
IUPAC Name5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid
SMILESCOc1ccc(F)c(Nc2cc(C(=O)O)c(Cl)cn2)c1
InChIInChI=1S/C13H10ClFN2O3/c1-20-7-2-3-10(15)11(4-7)17-12-5-8(13(18)19)9(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19)
InChIKeyCCCOHOLVACFVJK-UHFFFAOYSA-N
XLogP3.32
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.69
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-(2,4,5-trifluoroanilino)pyridine-4-carboxylic acid
CID 114919577
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
5-chloro-2-(3-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919129
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
5-chloro-2-(4-cyano-2-methoxyanilino)pyridine-4-carboxylic acid
CID 114919958
2-(2-fluoro-5-methoxyanilino)-1,3-thiazole-5-carboxylic acid
CID 80572716
5-chloro-2-(2,3-dichloroanilino)pyridine-4-carboxylic acid
CID 114919169
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
3-amino-2-(2-fluoro-5-methoxyanilino)benzoic acid
CID 115935321
5-chloro-2-(2-propylanilino)pyridine-4-carboxylic acid
CID 114919407
2-[(5-chloropyridine-2-carbonyl)amino]-5-methoxybenzoic acid
CID 115410990
5-amino-3-chloro-2-(2-fluoro-5-methoxyanilino)benzamide
CID 107196316

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid (CID 114919808) is 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid is COc1ccc(F)c(Nc2cc(C(=O)O)c(Cl)cn2)c1.
What is the InChIKey of 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid?
The InChIKey is CCCOHOLVACFVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN2O3/c1-20-7-2-3-10(15)11(4-7)17-12-5-8(13(18)19)9(14)6-16-12/h2-6H,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid?
5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid has a molecular weight of 296.69 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-fluoro-5-methoxyanilino)pyridine-4-carboxylic acid is sourced from PubChem (CID 114919808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).