2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile

C10H7ClN2O — CID 84674722

IUPAC2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CCC(=O)C2
InChIInChI=1S/C10H7ClN2O/c11-10-7(5-12)3-6-4-8(14)1-2-9(6)13-10/h3H,1-2,4H2
InChIKeyXJWIAOOXIFBOOV-UHFFFAOYSA-N
MW206.63 g/mol
LogP1.66
Rot. Bonds

About 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile

2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile (PubChem CID 84674722) has the molecular formula C10H7ClN2O and a molecular weight of 206.63 g/mol. Its IUPAC name is 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile
PubChem CID84674722
Molecular FormulaC10H7ClN2O
Molecular Weight206.63 g/mol
Exact Mass206.02
IUPAC Name2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile
SMILESN#Cc1cc2c(nc1Cl)CCC(=O)C2
InChIInChI=1S/C10H7ClN2O/c11-10-7(5-12)3-6-4-8(14)1-2-9(6)13-10/h3H,1-2,4H2
InChIKeyXJWIAOOXIFBOOV-UHFFFAOYSA-N
XLogP1.66
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.63
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3779818
2-chloro-5,6,7,8,9,10,11,12,13,14-decahydrocyclododeca[b]pyridine-3-carbonitrile
CID 63460303
2-chloro-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-3-carbonitrile
CID 82612621
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 82611382
2-chloro-7,7-dimethyl-5,8-dihydropyrano[4,3-b]pyridine-3-carbonitrile
CID 817267
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile
CID 79834189
6-chlorothieno[2,3-b]pyridine-5-carbonitrile
CID 82400712
2-chloro-5,6-dimethylpyridine-3-carbonitrile
CID 12891106
ethyl 2-chloro-3-cyano-5-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 58155445
5-acetyl-2,6-dichloropyridine-3-carbonitrile
CID 167702733
ethane;ethyl 2-chloro-3-cyano-5-methyl-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 143871007
2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carbonitrile;2-chloro-8,8-dimethyl-6,7-dihydro-5H-quinoline-3-carboxylic acid
CID 167670982

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile?
The IUPAC name of 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile (CID 84674722) is 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile?
The canonical SMILES for 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile is N#Cc1cc2c(nc1Cl)CCC(=O)C2.
What is the InChIKey of 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile?
The InChIKey is XJWIAOOXIFBOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O/c11-10-7(5-12)3-6-4-8(14)1-2-9(6)13-10/h3H,1-2,4H2.
What are the key properties of 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile?
2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile has a molecular weight of 206.63 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-oxo-7,8-dihydro-5H-quinoline-3-carbonitrile is sourced from PubChem (CID 84674722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).