3-(chloromethyl)-2-methylpyridin-4-amine

C7H9ClN2 — CID 130981451

IUPAC3-(chloromethyl)-2-methylpyridin-4-amine
SMILESCc1nccc(N)c1CCl
InChIInChI=1S/C7H9ClN2/c1-5-6(4-8)7(9)2-3-10-5/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyIYCKTJHHIGIMHN-UHFFFAOYSA-N
MW156.62 g/mol
LogP1.71
Rot. Bonds1

About 3-(chloromethyl)-2-methylpyridin-4-amine

3-(chloromethyl)-2-methylpyridin-4-amine (PubChem CID 130981451) has the molecular formula C7H9ClN2 and a molecular weight of 156.62 g/mol. Its IUPAC name is 3-(chloromethyl)-2-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(chloromethyl)-2-methylpyridin-4-amine
PubChem CID130981451
Molecular FormulaC7H9ClN2
Molecular Weight156.62 g/mol
Exact Mass156.05
IUPAC Name3-(chloromethyl)-2-methylpyridin-4-amine
SMILESCc1nccc(N)c1CCl
InChIInChI=1S/C7H9ClN2/c1-5-6(4-8)7(9)2-3-10-5/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyIYCKTJHHIGIMHN-UHFFFAOYSA-N
XLogP1.71
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.62
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-2-methylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-methylpyridin-4-amine
CID 13419573
3-(bromomethyl)-4-chloro-2-methylpyridine
CID 130772203
3-(bromomethyl)-2,4-dimethylpyridine
CID 59589473
4-(chloromethyl)-5-(difluoromethyl)-6-methylpyridin-3-amine
CID 130106383
2,4-dimethyl-3-propylpyridine
CID 14197863
azane;2-methylpyridin-3-amine
CID 67996717
2-methylpyridin-3-amine;hydroiodide
CID 172837374
N,N-dimethylformamide;2,3-dimethylpyridin-4-amine
CID 174894950
3-(2-bromoethyl)-2,4-dimethylpyridine
CID 174721738
5-(chloromethyl)-4,6-dimethylpyridin-2-amine
CID 145002193
(4-amino-2-bromo-3-pyridinyl)methanol
CID 130730891
3-chloro-2-ethylpyridin-4-amine
CID 11789463

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-methylpyridin-4-amine?
The IUPAC name of 3-(chloromethyl)-2-methylpyridin-4-amine (CID 130981451) is 3-(chloromethyl)-2-methylpyridin-4-amine.
What is the SMILES notation for 3-(chloromethyl)-2-methylpyridin-4-amine?
The canonical SMILES for 3-(chloromethyl)-2-methylpyridin-4-amine is Cc1nccc(N)c1CCl.
What is the InChIKey of 3-(chloromethyl)-2-methylpyridin-4-amine?
The InChIKey is IYCKTJHHIGIMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2/c1-5-6(4-8)7(9)2-3-10-5/h2-3H,4H2,1H3,(H2,9,10).
What are the key properties of 3-(chloromethyl)-2-methylpyridin-4-amine?
3-(chloromethyl)-2-methylpyridin-4-amine has a molecular weight of 156.62 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-methylpyridin-4-amine is sourced from PubChem (CID 130981451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).