3-chloroquinoxaline-5-carbonitrile

C9H4ClN3 — CID 119083814

IUPAC3-chloroquinoxaline-5-carbonitrile
SMILESN#Cc1cccc2ncc(Cl)nc12
InChIInChI=1S/C9H4ClN3/c10-8-5-12-7-3-1-2-6(4-11)9(7)13-8/h1-3,5H
InChIKeyLBSTUNYOSBMLJE-UHFFFAOYSA-N
MW189.60 g/mol
LogP2.15
Rot. Bonds

About 3-chloroquinoxaline-5-carbonitrile

3-chloroquinoxaline-5-carbonitrile (PubChem CID 119083814) has the molecular formula C9H4ClN3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-chloroquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name3-chloroquinoxaline-5-carbonitrile
PubChem CID119083814
Molecular FormulaC9H4ClN3
Molecular Weight189.60 g/mol
Exact Mass189.01
IUPAC Name3-chloroquinoxaline-5-carbonitrile
SMILESN#Cc1cccc2ncc(Cl)nc12
InChIInChI=1S/C9H4ClN3/c10-8-5-12-7-3-1-2-6(4-11)9(7)13-8/h1-3,5H
InChIKeyLBSTUNYOSBMLJE-UHFFFAOYSA-N
XLogP2.15
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloroquinoxaline-5-carboxylic acid
CID 115026152
3-chloroquinoxaline-5-carbonyl chloride
CID 119088001
2,7,8-trichloroquinoxaline
CID 15841153
2-phenylquinazoline-8-carbonitrile
CID 174872063
2-chloro-8-methoxyquinoxaline;8-methoxyquinoxalin-2-amine
CID 158220033
4-chloro-5-methylquinoline-3-carbonitrile
CID 134691913
4-chloroquinazoline-8-carbonitrile
CID 71721373
2-chloropyrido[3,2-f]quinoxaline
CID 129033345
quinoline-8-carbonitrile;trihydrochloride
CID 141468212
3-[(6-chloropyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorobenzonitrile
CID 166540002
3-methylquinoline-5-carbonitrile
CID 23510421
2-propan-2-ylbenzotriazole-4-carbonitrile
CID 84718997

Frequently Asked Questions

What is the IUPAC name of 3-chloroquinoxaline-5-carbonitrile?
The IUPAC name of 3-chloroquinoxaline-5-carbonitrile (CID 119083814) is 3-chloroquinoxaline-5-carbonitrile.
What is the SMILES notation for 3-chloroquinoxaline-5-carbonitrile?
The canonical SMILES for 3-chloroquinoxaline-5-carbonitrile is N#Cc1cccc2ncc(Cl)nc12.
What is the InChIKey of 3-chloroquinoxaline-5-carbonitrile?
The InChIKey is LBSTUNYOSBMLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClN3/c10-8-5-12-7-3-1-2-6(4-11)9(7)13-8/h1-3,5H.
What are the key properties of 3-chloroquinoxaline-5-carbonitrile?
3-chloroquinoxaline-5-carbonitrile has a molecular weight of 189.60 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroquinoxaline-5-carbonitrile is sourced from PubChem (CID 119083814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).