6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid

C18H12F4N2O2 — CID 143967467

IUPAC6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC2=C(F)CCC=C2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C18H12F4N2O2/c19-9-4-5-10(14(22)8-9)16-11(18(25)26)6-7-15(23-16)24-17-12(20)2-1-3-13(17)21/h2,4-8H,1,3H2,(H,23,24)(H,25,26)
InChIKeyUCKAUZCWYBNTGT-UHFFFAOYSA-N
MW364.30 g/mol
LogP4.97
Rot. Bonds4

About 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid

6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid (PubChem CID 143967467) has the molecular formula C18H12F4N2O2 and a molecular weight of 364.30 g/mol. Its IUPAC name is 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
PubChem CID143967467
Molecular FormulaC18H12F4N2O2
Molecular Weight364.30 g/mol
Exact Mass364.08
IUPAC Name6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC2=C(F)CCC=C2F)nc1-c1ccc(F)cc1F
InChIInChI=1S/C18H12F4N2O2/c19-9-4-5-10(14(22)8-9)16-11(18(25)26)6-7-15(23-16)24-17-12(20)2-1-3-13(17)21/h2,4-8H,1,3H2,(H,23,24)(H,25,26)
InChIKeyUCKAUZCWYBNTGT-UHFFFAOYSA-N
XLogP4.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.30
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid with MolForge

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Related Compounds

Niflumic Acid
CID 4488
4-[(2-Amino-6-methyl-4-pyrimidinyl)amino]benzoic acid
CID 618348
3-[6-[2-(2,4-Difluorophenyl)ethylamino]-2-methoxypyrimidin-4-yl]benzoic acid
CID 11717959
4-((5-Allyl-6-methyl-2-phenylpyrimidin-4-yl)amino)benzoic acid
CID 826384
4-(6-Methyl-2-phenyl-5-propylpyrimidin-4-ylamino)benzoic acid
CID 54579989
4-(5-Ethyl-6-methyl-2-phenylpyrimidin-4-ylamino)benzoic acid
CID 54585882
4-(5-Allyl-6-methyl-2-m-tolylpyrimidin-4-ylamino)benzoic acid
CID 54586992
2-[(5,6-Dimethylpyridin-2-yl)carbamoyl]-5-(trifluoromethyl)benzoic acid
CID 72947893
4-Quinolinecarboxylic acid, 2-(phenylamino)-
CID 3075053
2-Aminoquinoline-3-carboxylic acid
CID 283476
2-[(3-Fluorophenyl)amino]pyridine-3-carboxylic acid
CID 1432603
2-Amino-6-methylpyridine-3-carboxylic acid
CID 2734432

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid (CID 143967467) is 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(NC2=C(F)CCC=C2F)nc1-c1ccc(F)cc1F.
What is the InChIKey of 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid?
The InChIKey is UCKAUZCWYBNTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F4N2O2/c19-9-4-5-10(14(22)8-9)16-11(18(25)26)6-7-15(23-16)24-17-12(20)2-1-3-13(17)21/h2,4-8H,1,3H2,(H,23,24)(H,25,26).
What are the key properties of 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid?
6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid has a molecular weight of 364.30 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-difluorocyclohexa-1,5-dien-1-yl)amino]-2-(2,4-difluorophenyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 143967467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).