6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile

C9H7ClN4 — CID 86613870

IUPAC6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCn1cnc2c(C#N)nc(Cl)cc21
InChIInChI=1S/C9H7ClN4/c1-2-14-5-12-9-6(4-11)13-8(10)3-7(9)14/h3,5H,2H2,1H3
InChIKeyTUUHRSOIRVKPSV-UHFFFAOYSA-N
MW206.64 g/mol
LogP1.98
Rot. Bonds1

About 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile

6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile (PubChem CID 86613870) has the molecular formula C9H7ClN4 and a molecular weight of 206.64 g/mol. Its IUPAC name is 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile.

Molecular Properties

Compound Name6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile
PubChem CID86613870
Molecular FormulaC9H7ClN4
Molecular Weight206.64 g/mol
Exact Mass206.04
IUPAC Name6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile
SMILESCCn1cnc2c(C#N)nc(Cl)cc21
InChIInChI=1S/C9H7ClN4/c1-2-14-5-12-9-6(4-11)13-8(10)3-7(9)14/h3,5H,2H2,1H3
InChIKeyTUUHRSOIRVKPSV-UHFFFAOYSA-N
XLogP1.98
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.64
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-1H-imidazo(4,5-c)pyridine
CID 12299352
6-(3-Chloroanilino)-9-ethyl-2-purinecarbonitrile
CID 44143090
3-methyl-3H-imidazo(4,5-c)pyridine
CID 12299354
6-Chloro-1-methyl-1H-imidazo[4,5-c]pyridine
CID 13032381
6-Chloro-3H-imidazo(4,5-c)pyridine
CID 21813895
5-(2,5-Dichloropyrimidin-4-yl)pyrrolo[3,2-d]pyrimidine
CID 164575900
6-Chloro-2-pyrrolo[3,2-d]pyrimidin-5-ylpyridine-3-carbonitrile
CID 164575901
4-(6-Chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyrimidinamine
CID 71560537
3-Chloro-N-{imidazo[1,2-A]pyrimidin-2-ylmethyl}aniline
CID 705362
1-(4-Chlorophenyl)-4-([imidazo[1,2-a]pyrimidin-3-yl]methyl)piperazine
CID 44264622
9-(3-chlorophenyl)-6-(ethylamino)-9H-purine-2-carbonitrile
CID 44460080
4-(6-Chlorobenzimidazol-1-yl)pyrimidin-2-amine
CID 71560539

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile?
The IUPAC name of 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile (CID 86613870) is 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile.
What is the SMILES notation for 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile?
The canonical SMILES for 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile is CCn1cnc2c(C#N)nc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile?
The InChIKey is TUUHRSOIRVKPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4/c1-2-14-5-12-9-6(4-11)13-8(10)3-7(9)14/h3,5H,2H2,1H3.
What are the key properties of 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile?
6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile has a molecular weight of 206.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethylimidazo[4,5-c]pyridine-4-carbonitrile is sourced from PubChem (CID 86613870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).