2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

C18H15ClN2S — CID 156810376

IUPAC2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESClc1cc2c(s1)CNCC2c1ccccc1-c1ccccn1
InChIInChI=1S/C18H15ClN2S/c19-18-9-14-15(10-20-11-17(14)22-18)12-5-1-2-6-13(12)16-7-3-4-8-21-16/h1-9,15,20H,10-11H2
InChIKeyNAHIABFKOPRXFS-UHFFFAOYSA-N
MW326.85 g/mol
LogP4.70
Rot. Bonds2

About 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine

2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (PubChem CID 156810376) has the molecular formula C18H15ClN2S and a molecular weight of 326.85 g/mol. Its IUPAC name is 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.

Molecular Properties

Compound Name2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
PubChem CID156810376
Molecular FormulaC18H15ClN2S
Molecular Weight326.85 g/mol
Exact Mass326.06
IUPAC Name2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine
SMILESClc1cc2c(s1)CNCC2c1ccccc1-c1ccccn1
InChIInChI=1S/C18H15ClN2S/c19-18-9-14-15(10-20-11-17(14)22-18)12-5-1-2-6-13(12)16-7-3-4-8-21-16/h1-9,15,20H,10-11H2
InChIKeyNAHIABFKOPRXFS-UHFFFAOYSA-N
XLogP4.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-[2-[1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-2-carbonitrile
CID 166491342
4-methyl-5-pyridin-2-yl-1,2,3,4-tetrahydroisoquinoline
CID 82583621
2-[2-[(2S)-pyrrolidin-2-yl]phenyl]pyridine;hydrochloride
CID 164551354
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
copper;2,3-dipyridin-2-ylpyridine;2-pyridin-2-ylpyridine
CID 175437011
2-[2-(oxolan-2-yl)phenyl]pyridine
CID 122204034
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The IUPAC name of 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine (CID 156810376) is 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine.
What is the SMILES notation for 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The canonical SMILES for 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is Clc1cc2c(s1)CNCC2c1ccccc1-c1ccccn1.
What is the InChIKey of 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
The InChIKey is NAHIABFKOPRXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2S/c19-18-9-14-15(10-20-11-17(14)22-18)12-5-1-2-6-13(12)16-7-3-4-8-21-16/h1-9,15,20H,10-11H2.
What are the key properties of 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine?
2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine has a molecular weight of 326.85 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-pyridin-2-ylphenyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine is sourced from PubChem (CID 156810376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).