5-(2,6-difluoroanilino)pyridine-3-carboxylic acid

C12H8F2N2O2 — CID 82535068

IUPAC5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Nc2c(F)cccc2F)c1
InChIInChI=1S/C12H8F2N2O2/c13-9-2-1-3-10(14)11(9)16-8-4-7(12(17)18)5-15-6-8/h1-6,16H,(H,17,18)
InChIKeyURGKTYCPYSYFLB-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.80
Rot. Bonds3

About 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid

5-(2,6-difluoroanilino)pyridine-3-carboxylic acid (PubChem CID 82535068) has the molecular formula C12H8F2N2O2 and a molecular weight of 250.20 g/mol. Its IUPAC name is 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
PubChem CID82535068
Molecular FormulaC12H8F2N2O2
Molecular Weight250.20 g/mol
Exact Mass250.06
IUPAC Name5-(2,6-difluoroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(Nc2c(F)cccc2F)c1
InChIInChI=1S/C12H8F2N2O2/c13-9-2-1-3-10(14)11(9)16-8-4-7(12(17)18)5-15-6-8/h1-6,16H,(H,17,18)
InChIKeyURGKTYCPYSYFLB-UHFFFAOYSA-N
XLogP2.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-5-(2,6-difluoroanilino)pyridine-3-carboxamide
CID 109239372
5-(2-fluoroanilino)pyridine-3-carboxylic acid
CID 82535090
5-(2,6-difluoroanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109246109
5-(2,6-difluoroanilino)-N-(3,4-difluorophenyl)pyridine-3-carboxamide
CID 109246460
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236119
ethyl 4-[5-(2,6-difluoroanilino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109238333
5-[(2,3-difluorophenyl)carbamoylamino]pyridine-3-carboxylic acid
CID 63157578
5-(2,6-difluoroanilino)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109245567
5-(quinolin-8-ylamino)pyridine-3-carboxylic acid
CID 82535032
5-(2,6-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridine-3-carboxamide
CID 109238164
5-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79694248
5-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81266017

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid (CID 82535068) is 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid is O=C(O)c1cncc(Nc2c(F)cccc2F)c1.
What is the InChIKey of 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
The InChIKey is URGKTYCPYSYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O2/c13-9-2-1-3-10(14)11(9)16-8-4-7(12(17)18)5-15-6-8/h1-6,16H,(H,17,18).
What are the key properties of 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid?
5-(2,6-difluoroanilino)pyridine-3-carboxylic acid has a molecular weight of 250.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 82535068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).