2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide

C14H12ClFN2OS — CID 17489868

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Sc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H12ClFN2OS/c1-7-5-8(2)18-14(12(7)13(17)19)20-9-3-4-11(16)10(15)6-9/h3-6H,1-2H3,(H2,17,19)
InChIKeyVBQRFLJJQJZMPO-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.74
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide

2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide (PubChem CID 17489868) has the molecular formula C14H12ClFN2OS and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide
PubChem CID17489868
Molecular FormulaC14H12ClFN2OS
Molecular Weight310.78 g/mol
Exact Mass310.03
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide
SMILESCc1cc(C)c(C(N)=O)c(Sc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H12ClFN2OS/c1-7-5-8(2)18-14(12(7)13(17)19)20-9-3-4-11(16)10(15)6-9/h3-6H,1-2H3,(H2,17,19)
InChIKeyVBQRFLJJQJZMPO-UHFFFAOYSA-N
XLogP3.74
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide (CID 17489868) is 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide is Cc1cc(C)c(C(N)=O)c(Sc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide?
The InChIKey is VBQRFLJJQJZMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2OS/c1-7-5-8(2)18-14(12(7)13(17)19)20-9-3-4-11(16)10(15)6-9/h3-6H,1-2H3,(H2,17,19).
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide?
2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-4,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 17489868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).