5-(chloromethyl)-4,6-dimethylpyridin-2-amine

C8H11ClN2 — CID 145002193

IUPAC5-(chloromethyl)-4,6-dimethylpyridin-2-amine
SMILESCc1cc(N)nc(C)c1CCl
InChIInChI=1S/C8H11ClN2/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyDPOOOIUIZKHURZ-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.02
Rot. Bonds1

About 5-(chloromethyl)-4,6-dimethylpyridin-2-amine

5-(chloromethyl)-4,6-dimethylpyridin-2-amine (PubChem CID 145002193) has the molecular formula C8H11ClN2 and a molecular weight of 170.64 g/mol. Its IUPAC name is 5-(chloromethyl)-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(chloromethyl)-4,6-dimethylpyridin-2-amine
PubChem CID145002193
Molecular FormulaC8H11ClN2
Molecular Weight170.64 g/mol
Exact Mass170.06
IUPAC Name5-(chloromethyl)-4,6-dimethylpyridin-2-amine
SMILESCc1cc(N)nc(C)c1CCl
InChIInChI=1S/C8H11ClN2/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,4H2,1-2H3,(H2,10,11)
InChIKeyDPOOOIUIZKHURZ-UHFFFAOYSA-N
XLogP2.02
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-4,6-dimethylpyridin-2-amine
CID 45079042
4,6-dimethyl-5-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 166870865
3-(aminomethyl)-4-methylpyridine-2,6-diamine
CID 89319703
5-N-chloro-4,6-dimethylpyridine-2,5-diamine
CID 118668730
N'-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-N-ethyloxamide
CID 139341058
4-cyclopropyl-5-ethyl-6-methylpyridin-2-amine
CID 118491476
2-(chloromethyl)-6-methylpyrimidin-4-amine
CID 14693651
5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 118491454
2-(chloromethyl)-1,3,5-trimethylbenzene;methane
CID 158287443
ethane;5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 145206975
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 142714628
3,4-dimethylpyridine-2,6-diamine
CID 23049439

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4,6-dimethylpyridin-2-amine?
The IUPAC name of 5-(chloromethyl)-4,6-dimethylpyridin-2-amine (CID 145002193) is 5-(chloromethyl)-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(chloromethyl)-4,6-dimethylpyridin-2-amine?
The canonical SMILES for 5-(chloromethyl)-4,6-dimethylpyridin-2-amine is Cc1cc(N)nc(C)c1CCl.
What is the InChIKey of 5-(chloromethyl)-4,6-dimethylpyridin-2-amine?
The InChIKey is DPOOOIUIZKHURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2/c1-5-3-8(10)11-6(2)7(5)4-9/h3H,4H2,1-2H3,(H2,10,11).
What are the key properties of 5-(chloromethyl)-4,6-dimethylpyridin-2-amine?
5-(chloromethyl)-4,6-dimethylpyridin-2-amine has a molecular weight of 170.64 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 145002193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).