2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C10H9ClN2 — CID 3779818

IUPAC2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CCCC2
InChIInChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h5H,1-4H2
InChIKeyBWPSIGMJCQHAGB-UHFFFAOYSA-N
MW192.65 g/mol
LogP2.49
Rot. Bonds

About 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3779818) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3779818
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CCCC2
InChIInChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h5H,1-4H2
InChIKeyBWPSIGMJCQHAGB-UHFFFAOYSA-N
XLogP2.49
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3779818) is 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cc2c(nc1Cl)CCCC2.
What is the InChIKey of 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BWPSIGMJCQHAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2/c11-10-8(6-12)5-7-3-1-2-4-9(7)13-10/h5H,1-4H2.
What are the key properties of 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3779818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).