6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

C12H8FN3O3 — CID 113452818

IUPAC6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cncc(F)c2)nc1
InChIInChI=1S/C12H8FN3O3/c13-9-3-8(4-14-6-9)11(17)16-10-2-1-7(5-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyBJOMPIHHOFLJSH-UHFFFAOYSA-N
MW261.21 g/mol
LogP1.57
Rot. Bonds3

About 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid

6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (PubChem CID 113452818) has the molecular formula C12H8FN3O3 and a molecular weight of 261.21 g/mol. Its IUPAC name is 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
PubChem CID113452818
Molecular FormulaC12H8FN3O3
Molecular Weight261.21 g/mol
Exact Mass261.05
IUPAC Name6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)c2cncc(F)c2)nc1
InChIInChI=1S/C12H8FN3O3/c13-9-3-8(4-14-6-9)11(17)16-10-2-1-7(5-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17)
InChIKeyBJOMPIHHOFLJSH-UHFFFAOYSA-N
XLogP1.57
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 104785368
6-[(3-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61318981
1-[6-[(5-fluoropyridine-3-carbonyl)amino]-3-pyridinyl]cyclobutane-1-carboxylic acid
CID 137463496
3-fluoro-4-[(5-fluoropyridine-3-carbonyl)amino]benzoic acid
CID 115867825
6-[(2,4-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 22099949
6-[(2,5-difluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317560
3-[(5-fluoropyridine-3-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 104785610
6-[(5-fluoro-2-hydroxybenzoyl)amino]pyridine-3-carboxylic acid
CID 115298481
6-[(3,4-dichlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 61317958
6-[[4-fluoro-2-(trifluoromethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 22099714
6-[(3-chloro-2-fluorobenzoyl)amino]pyridine-3-carboxylic acid
CID 81267592
N-(6-chloropyrazin-2-yl)-5-fluoropyridine-3-carboxamide
CID 104819879

Frequently Asked Questions

What is the IUPAC name of 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid (CID 113452818) is 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)c2cncc(F)c2)nc1.
What is the InChIKey of 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
The InChIKey is BJOMPIHHOFLJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8FN3O3/c13-9-3-8(4-14-6-9)11(17)16-10-2-1-7(5-15-10)12(18)19/h1-6H,(H,18,19)(H,15,16,17).
What are the key properties of 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid?
6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-fluoropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 113452818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).