2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide

C12H8F2N2OS — CID 31536570

IUPAC2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2OS/c13-9-4-3-7(6-10(9)14)18-12-8(11(15)17)2-1-5-16-12/h1-6H,(H2,15,17)
InChIKeyJRFADLJWVPVRLU-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.61
Rot. Bonds3

About 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide

2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide (PubChem CID 31536570) has the molecular formula C12H8F2N2OS and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
PubChem CID31536570
Molecular FormulaC12H8F2N2OS
Molecular Weight266.27 g/mol
Exact Mass266.03
IUPAC Name2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Sc1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2OS/c13-9-4-3-7(6-10(9)14)18-12-8(11(15)17)2-1-5-16-12/h1-6H,(H2,15,17)
InChIKeyJRFADLJWVPVRLU-UHFFFAOYSA-N
XLogP2.61
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 725071
2-naphthalen-2-ylsulfanylpyridine-3-carboxamide
CID 36557143
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]pyridine-3-carboxylic acid
CID 24694206
(2-amino-2-oxoethyl) 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate
CID 7790621
2-[(3-carbamoyl-2-pyridinyl)sulfanyl]acetic acid
CID 24707226
5-amino-6-(3,4-difluorophenyl)sulfanylpyridine-3-carboxylic acid
CID 81440018
N-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 9097470
3-(3,4-difluorophenyl)sulfanylpyridazine-4-carboximidamide
CID 80515913
N-(2-fluorophenyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 26115014
2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylpyridine-3-carboxamide
CID 39997996
2-(5-chloro-2-fluoroanilino)pyridine-3-carboxamide
CID 165177944
N-[3-(4-chloroanilino)sulfanyl-4-fluorophenyl]-2-(4-methylphenyl)sulfanylpyridine-3-carboxamide
CID 156859919

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide (CID 31536570) is 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide is NC(=O)c1cccnc1Sc1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide?
The InChIKey is JRFADLJWVPVRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2OS/c13-9-4-3-7(6-10(9)14)18-12-8(11(15)17)2-1-5-16-12/h1-6H,(H2,15,17).
What are the key properties of 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide?
2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide has a molecular weight of 266.27 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfanylpyridine-3-carboxamide is sourced from PubChem (CID 31536570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).