2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide

C15H12ClFN2OS — CID 60678283

IUPAC2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cccnc1Cl
InChIInChI=1S/C15H12ClFN2OS/c16-14-10(2-1-6-18-14)15(20)19-12-5-7-21-13-4-3-9(17)8-11(12)13/h1-4,6,8,12H,5,7H2,(H,19,20)
InChIKeyGCVOZZXNJMZYHB-UHFFFAOYSA-N
MW322.79 g/mol
LogP3.84
Rot. Bonds2

About 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide

2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide (PubChem CID 60678283) has the molecular formula C15H12ClFN2OS and a molecular weight of 322.79 g/mol. Its IUPAC name is 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
PubChem CID60678283
Molecular FormulaC15H12ClFN2OS
Molecular Weight322.79 g/mol
Exact Mass322.03
IUPAC Name2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide
SMILESO=C(NC1CCSc2ccc(F)cc21)c1cccnc1Cl
InChIInChI=1S/C15H12ClFN2OS/c16-14-10(2-1-6-18-14)15(20)19-12-5-7-21-13-4-3-9(17)8-11(12)13/h1-4,6,8,12H,5,7H2,(H,19,20)
InChIKeyGCVOZZXNJMZYHB-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468668
5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyrazine-2-carboxamide
CID 103803294
5-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80625358
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
CID 51307065
4-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-nitrobenzamide
CID 51247332
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3,5-dimethylbenzamide
CID 26468733
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17469535
3,5-dichloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-methoxybenzamide
CID 24516450
1-cyclohexyl-3-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]urea
CID 94453338
4-ethyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]benzamide
CID 26468741
2,3-dichloro-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)benzamide
CID 46656545

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide (CID 60678283) is 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide is O=C(NC1CCSc2ccc(F)cc21)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide?
The InChIKey is GCVOZZXNJMZYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2OS/c16-14-10(2-1-6-18-14)15(20)19-12-5-7-21-13-4-3-9(17)8-11(12)13/h1-4,6,8,12H,5,7H2,(H,19,20).
What are the key properties of 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide?
2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 60678283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).