2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine

C9H9ClN4 — CID 59728068

IUPAC2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
SMILESClc1ncccc1NCc1cnc[nH]1
InChIInChI=1S/C9H9ClN4/c10-9-8(2-1-3-12-9)13-5-7-4-11-6-14-7/h1-4,6,13H,5H2,(H,11,14)
InChIKeyXCZBUNMTRNYCGM-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.07
Rot. Bonds3

About 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine

2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine (PubChem CID 59728068) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
PubChem CID59728068
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
SMILESClc1ncccc1NCc1cnc[nH]1
InChIInChI=1S/C9H9ClN4/c10-9-8(2-1-3-12-9)13-5-7-4-11-6-14-7/h1-4,6,13H,5H2,(H,11,14)
InChIKeyXCZBUNMTRNYCGM-UHFFFAOYSA-N
XLogP2.07
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.07
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

8-chloro-N-(1H-imidazol-5-ylmethyl)quinolin-5-amine
CID 62763903
N-(1H-imidazol-5-ylmethyl)-2-propan-2-yloxypyridin-3-amine
CID 62763918
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 65439896
N-(1H-imidazol-5-ylmethyl)-2,3-dimethylaniline
CID 13178310
6-chloro-N-(1H-imidazol-5-ylmethyl)-8-methylquinolin-5-amine
CID 62763180
N-(1H-imidazol-5-ylmethyl)-2-(trifluoromethyl)aniline
CID 62762264
3-fluoro-N-(1H-imidazol-5-ylmethyl)-2-methylaniline
CID 62762313
2-chloro-N-(1H-imidazol-5-ylmethyl)-4-iodoaniline
CID 62761938
2-chloro-4-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762095
2-[(dimethylamino)methyl]-N-(1H-imidazol-5-ylmethyl)aniline
CID 62762471
N-(1H-imidazol-5-ylmethyl)-2-pyridin-3-ylthiophen-3-amine
CID 171514285
2,6-diethyl-N-(1H-imidazol-5-ylmethyl)aniline
CID 13178302

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine (CID 59728068) is 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine is Clc1ncccc1NCc1cnc[nH]1.
What is the InChIKey of 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
The InChIKey is XCZBUNMTRNYCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c10-9-8(2-1-3-12-9)13-5-7-4-11-6-14-7/h1-4,6,13H,5H2,(H,11,14).
What are the key properties of 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine?
2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine has a molecular weight of 208.65 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 59728068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).