2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine

C8H9ClN4 — CID 76848057

IUPAC2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine
SMILESNCCc1cc2[nH]cnc2c(Cl)n1
InChIInChI=1S/C8H9ClN4/c9-8-7-6(11-4-12-7)3-5(13-8)1-2-10/h3-4H,1-2,10H2,(H,11,12)
InChIKeyKAKKLQUKNIRINB-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.11
Rot. Bonds2

About 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine

2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine (PubChem CID 76848057) has the molecular formula C8H9ClN4 and a molecular weight of 196.64 g/mol. Its IUPAC name is 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine
PubChem CID76848057
Molecular FormulaC8H9ClN4
Molecular Weight196.64 g/mol
Exact Mass196.05
IUPAC Name2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine
SMILESNCCc1cc2[nH]cnc2c(Cl)n1
InChIInChI=1S/C8H9ClN4/c9-8-7-6(11-4-12-7)3-5(13-8)1-2-10/h3-4H,1-2,10H2,(H,11,12)
InChIKeyKAKKLQUKNIRINB-UHFFFAOYSA-N
XLogP1.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine
CID 90456846
(4-propyl-1H-imidazo[4,5-c]pyridin-6-yl)methanamine
CID 105444445
3-(7-chloro-3H-benzimidazol-5-yl)propan-1-amine
CID 83884805
(4-ethyl-1H-imidazo[4,5-c]pyridin-6-yl)methanamine
CID 105436568
6-chloro-4-fluoro-1H-benzimidazol-5-amine
CID 75412438
4-(2-aminoethyl)-6-chloropyrimidin-2-amine
CID 83851850
4-chloro-1H-imidazo[4,5-c]pyridine;hydrochloride
CID 122362446
[4-(oxolan-3-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
CID 105472547
6-bromo-4-chloro-1H-imidazo[4,5-c]pyridine;6-bromo-4-chloro-1-methylimidazo[4,5-c]pyridine
CID 159210373
2-[2-(3H-benzimidazol-5-yl)-1,3-thiazol-4-yl]ethanamine
CID 82385621
2-(4-methoxy-1H-benzimidazol-5-yl)ethanamine
CID 173196682
[4-(1-methylpyrrolidin-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]methanamine
CID 105489955

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine (CID 76848057) is 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine is NCCc1cc2[nH]cnc2c(Cl)n1.
What is the InChIKey of 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine?
The InChIKey is KAKKLQUKNIRINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4/c9-8-7-6(11-4-12-7)3-5(13-8)1-2-10/h3-4H,1-2,10H2,(H,11,12).
What are the key properties of 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine?
2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine has a molecular weight of 196.64 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-imidazo[4,5-c]pyridin-6-yl)ethanamine is sourced from PubChem (CID 76848057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).