1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile

C10H4ClN5 — CID 112595880

IUPAC1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccncc2Cl)c1C#N
InChIInChI=1S/C10H4ClN5/c11-7-5-14-2-1-9(7)16-6-15-8(3-12)10(16)4-13/h1-2,5-6H
InChIKeyOXJOZFIFUVJDIC-UHFFFAOYSA-N
MW229.63 g/mol
LogP1.66
Rot. Bonds1

About 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile

1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile (PubChem CID 112595880) has the molecular formula C10H4ClN5 and a molecular weight of 229.63 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
PubChem CID112595880
Molecular FormulaC10H4ClN5
Molecular Weight229.63 g/mol
Exact Mass229.02
IUPAC Name1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile
SMILESN#Cc1ncn(-c2ccncc2Cl)c1C#N
InChIInChI=1S/C10H4ClN5/c11-7-5-14-2-1-9(7)16-6-15-8(3-12)10(16)4-13/h1-2,5-6H
InChIKeyOXJOZFIFUVJDIC-UHFFFAOYSA-N
XLogP1.66
TPSA78.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-2-chlorophenyl)imidazole-4,5-dicarbonitrile
CID 146004115
1-(5-aminoisoquinolin-6-yl)imidazole-4,5-dicarbonitrile
CID 106948556
1-(2-cyanophenyl)imidazole-4,5-dicarbonitrile
CID 112595092
1-(2-amino-5-chloro-4-fluorophenyl)imidazole-4,5-dicarbonitrile
CID 114089127
1-[2-chloro-4-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 115944874
1-(5-bromo-2-cyano-3-pyridinyl)imidazole-4,5-dicarbonitrile
CID 114202972
1-(5-bromo-3-chloro-2-pyridinyl)imidazole-4,5-dicarbonitrile
CID 103583527
1-cinnolin-4-ylimidazole-4,5-dicarbonitrile
CID 112595843
1-(5-fluoropyrimidin-2-yl)imidazole-4,5-dicarbonitrile
CID 104606645
1-(4-chloro-5-fluoro-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 115945020
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
1-(5-aminopyrimidin-4-yl)imidazole-4,5-dicarbonitrile
CID 112594849

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile (CID 112595880) is 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile is N#Cc1ncn(-c2ccncc2Cl)c1C#N.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile?
The InChIKey is OXJOZFIFUVJDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClN5/c11-7-5-14-2-1-9(7)16-6-15-8(3-12)10(16)4-13/h1-2,5-6H.
What are the key properties of 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile?
1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile has a molecular weight of 229.63 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).