7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine

C8H6ClN3 — CID 123151987

IUPAC7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine
SMILESC=Cc1nc2c(Cl)cncc2[nH]1
InChIInChI=1S/C8H6ClN3/c1-2-7-11-6-4-10-3-5(9)8(6)12-7/h2-4H,1H2,(H,11,12)
InChIKeyKDVODFNLJFSWOS-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.25
Rot. Bonds1

About 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine

7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine (PubChem CID 123151987) has the molecular formula C8H6ClN3 and a molecular weight of 179.61 g/mol. Its IUPAC name is 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine
PubChem CID123151987
Molecular FormulaC8H6ClN3
Molecular Weight179.61 g/mol
Exact Mass179.03
IUPAC Name7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine
SMILESC=Cc1nc2c(Cl)cncc2[nH]1
InChIInChI=1S/C8H6ClN3/c1-2-7-11-6-4-10-3-5(9)8(6)12-7/h2-4H,1H2,(H,11,12)
InChIKeyKDVODFNLJFSWOS-UHFFFAOYSA-N
XLogP2.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2'-Pyridyl)benzimidazole
CID 70821
5H-Pyrrolo(3,2-d)pyrimidin-4-amine
CID 5287565
Imidazo(4,5-b)pyridine
CID 67504
6-Chloro-2-(2-pyridinyl)-1H-benzimidazole
CID 186763
2-(pyridin-2-yl)-1H-benzo(d)imidazol-5-amine
CID 542828
2-(pyridin-2-yl)-1H-imidazo(4,5-c)pyridine
CID 947740
3H-Imidazo(4,5-b)pyridin-2-amine
CID 179897
Pyrrolopyrimidine
CID 577022
2-(6-chloropyridin-3-yl)-1H-1,3-benzodiazole
CID 1488390
2,4-Dichloro-5H-pyrrolo[3,2-d]pyrimidine
CID 5375053
1H-Imidazo(4,5-c)pyridine
CID 9227
4-Chloro-1H-imidazo[4,5-c]pyridine
CID 5373364

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine?
The IUPAC name of 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine (CID 123151987) is 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine?
The canonical SMILES for 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine is C=Cc1nc2c(Cl)cncc2[nH]1.
What is the InChIKey of 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine?
The InChIKey is KDVODFNLJFSWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN3/c1-2-7-11-6-4-10-3-5(9)8(6)12-7/h2-4H,1H2,(H,11,12).
What are the key properties of 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine?
7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine has a molecular weight of 179.61 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethenyl-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 123151987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).