2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

C19H14F2N2O3 — CID 24986465

IUPAC2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1F
InChIInChI=1S/C19H14F2N2O3/c1-26-16-6-2-4-12(17(16)21)11-7-8-15(14(20)10-11)23-18-13(19(24)25)5-3-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyADPGGXGZSVRYEW-UHFFFAOYSA-N
MW356.33 g/mol
LogP4.48
Rot. Bonds5

About 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid

2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (PubChem CID 24986465) has the molecular formula C19H14F2N2O3 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
PubChem CID24986465
Molecular FormulaC19H14F2N2O3
Molecular Weight356.33 g/mol
Exact Mass356.10
IUPAC Name2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
SMILESCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1F
InChIInChI=1S/C19H14F2N2O3/c1-26-16-6-2-4-12(17(16)21)11-7-8-15(14(20)10-11)23-18-13(19(24)25)5-3-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25)
InChIKeyADPGGXGZSVRYEW-UHFFFAOYSA-N
XLogP4.48
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid;2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;2-[3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid
CID 157143285
2-[4-(3-ethoxyphenyl)-2,5-difluoroanilino]pyridine-3-carboxylic acid;2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid;2-[3-methyl-4-[3-(trifluoromethoxy)phenyl]anilino]pyridine-3-carboxylic acid
CID 157470403
2-(5-fluoro-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064933
2-[2-methoxy-5-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
CID 178064922
2-[3-(2-fluoro-3-methoxyphenyl)-2-methylanilino]-N-(2-oxoethyl)pyridine-3-carboxamide
CID 135146904
2-(2,3,5,6-tetrafluoroanilino)pyridine-3-carboxylic acid
CID 107645096
3-(2-fluoro-3-methoxyphenyl)benzoic acid
CID 53216650
3-(3-fluoro-4-methoxycarbonylphenyl)pyridine-2-carboxylic acid
CID 53224145
2-(5-benzamido-2-methoxyanilino)pyridine-3-carboxylic acid
CID 178064937
2-(2,5-dimethoxyanilino)-3-fluoropyridine-4-carboxylic acid
CID 105381770
5-cyclopropyl-2-[2-fluoro-4-(3-methoxyphenyl)anilino]pyridine-3-carboxylic acid
CID 24988290
2-[4-(3-ethoxyphenyl)-2-(trifluoromethoxy)anilino]pyridine-3-carboxylic acid
CID 158575024

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid (CID 24986465) is 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is COc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1F.
What is the InChIKey of 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
The InChIKey is ADPGGXGZSVRYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2O3/c1-26-16-6-2-4-12(17(16)21)11-7-8-15(14(20)10-11)23-18-13(19(24)25)5-3-9-22-18/h2-10H,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid?
2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid has a molecular weight of 356.33 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(2-fluoro-3-methoxyphenyl)anilino]pyridine-3-carboxylic acid is sourced from PubChem (CID 24986465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).