3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile

C10H7ClN2S — CID 63216332

IUPAC3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile
SMILESN#CC(CCl)c1nccc2sccc12
InChIInChI=1S/C10H7ClN2S/c11-5-7(6-12)10-8-2-4-14-9(8)1-3-13-10/h1-4,7H,5H2
InChIKeyHILPJKOWJFASEN-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.14
Rot. Bonds2

About 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile

3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile (PubChem CID 63216332) has the molecular formula C10H7ClN2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile
PubChem CID63216332
Molecular FormulaC10H7ClN2S
Molecular Weight222.70 g/mol
Exact Mass222.00
IUPAC Name3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile
SMILESN#CC(CCl)c1nccc2sccc12
InChIInChI=1S/C10H7ClN2S/c11-5-7(6-12)10-8-2-4-14-9(8)1-3-13-10/h1-4,7H,5H2
InChIKeyHILPJKOWJFASEN-UHFFFAOYSA-N
XLogP3.14
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(1-bromoethyl)thieno[3,2-c]pyridine
CID 70376593
2-(3-bromo-4-methyl-2-pyridinyl)-3-chloropropanenitrile
CID 106878835
N-propyl-3-thieno[3,2-c]pyridin-4-ylbutan-2-amine
CID 63199377
thieno[3,2-c]pyridin-4-ylmethanamine
CID 82414810
N-(1-chloro-3-phenylpropan-2-yl)thieno[3,2-c]pyridin-4-amine
CID 65029018
N-(2-chloroethyl)-N-(2,2-difluoroethyl)thieno[3,2-c]pyridin-4-amine
CID 107490070
4-methylsulfanylthieno[3,2-c]pyridine
CID 70002726
N-[4-(chloromethyl)phenyl]thieno[3,2-c]pyridin-4-amine
CID 65029006
N-[[1-(chloromethyl)cyclopentyl]methyl]thieno[3,2-c]pyridin-4-amine
CID 113294681
N-hex-1-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 106231740
4-[2-(3-bromopropyl)pyrrolidin-1-yl]thieno[3,2-c]pyridine
CID 80679780
3-chloro-2-(5-chloropyrimidin-4-yl)propanenitrile
CID 105370579

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile?
The IUPAC name of 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile (CID 63216332) is 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile.
What is the SMILES notation for 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile?
The canonical SMILES for 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile is N#CC(CCl)c1nccc2sccc12.
What is the InChIKey of 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile?
The InChIKey is HILPJKOWJFASEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2S/c11-5-7(6-12)10-8-2-4-14-9(8)1-3-13-10/h1-4,7H,5H2.
What are the key properties of 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile?
3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile has a molecular weight of 222.70 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-thieno[3,2-c]pyridin-4-ylpropanenitrile is sourced from PubChem (CID 63216332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).