2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide

C12H9ClFN3O — CID 165177944

IUPAC2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClFN3O/c13-7-3-4-9(14)10(6-7)17-12-8(11(15)18)2-1-5-16-12/h1-6H,(H2,15,18)(H,16,17)
InChIKeyAJYDALAHLMGBQB-UHFFFAOYSA-N
MW265.68 g/mol
LogP2.72
Rot. Bonds3

About 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide

2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide (PubChem CID 165177944) has the molecular formula C12H9ClFN3O and a molecular weight of 265.68 g/mol. Its IUPAC name is 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
PubChem CID165177944
Molecular FormulaC12H9ClFN3O
Molecular Weight265.68 g/mol
Exact Mass265.04
IUPAC Name2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H9ClFN3O/c13-7-3-4-9(14)10(6-7)17-12-8(11(15)18)2-1-5-16-12/h1-6H,(H2,15,18)(H,16,17)
InChIKeyAJYDALAHLMGBQB-UHFFFAOYSA-N
XLogP2.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-fluoroanilino)pyridine-3-carbothioamide
CID 43438549
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
2-(4-chloro-2-iodoanilino)pyridine-3-carbothioamide
CID 107635581
2-amino-N-(5-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 62154779
2-[2-(aminomethyl)anilino]pyridine-3-carboxamide
CID 55241412
3-(5-chloro-2-fluoroanilino)pyridazine-4-carbothioamide
CID 80512072
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
1-[2-(5-chloro-2-methoxyanilino)-3-pyridinyl]prop-2-en-1-one
CID 178064932
5-amino-2-(2,5-difluoroanilino)pyridine-3-carboxamide
CID 61359558
2-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 12812716
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide?
The IUPAC name of 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide (CID 165177944) is 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide is NC(=O)c1cccnc1Nc1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide?
The InChIKey is AJYDALAHLMGBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3O/c13-7-3-4-9(14)10(6-7)17-12-8(11(15)18)2-1-5-16-12/h1-6H,(H2,15,18)(H,16,17).
What are the key properties of 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide?
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide has a molecular weight of 265.68 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 165177944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).