4-(chloromethyl)-2-methylpyridine

C7H8ClN — CID 12675262

IUPAC4-(chloromethyl)-2-methylpyridine
SMILESCc1cc(CCl)ccn1
InChIInChI=1S/C7H8ClN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3
InChIKeyXDDLZDABUCJCMO-UHFFFAOYSA-N
MW141.60 g/mol
LogP2.13
Rot. Bonds1

About 4-(chloromethyl)-2-methylpyridine

4-(chloromethyl)-2-methylpyridine (PubChem CID 12675262) has the molecular formula C7H8ClN and a molecular weight of 141.60 g/mol. Its IUPAC name is 4-(chloromethyl)-2-methylpyridine.

Molecular Properties

Compound Name4-(chloromethyl)-2-methylpyridine
PubChem CID12675262
Molecular FormulaC7H8ClN
Molecular Weight141.60 g/mol
Exact Mass141.03
IUPAC Name4-(chloromethyl)-2-methylpyridine
SMILESCc1cc(CCl)ccn1
InChIInChI=1S/C7H8ClN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3
InChIKeyXDDLZDABUCJCMO-UHFFFAOYSA-N
XLogP2.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-ethyl-2-methylpyridine
CID 91358383
(2-methyl-4-pyridinyl)methanamine;hydrobromide
CID 133056963
2-methyl-4-propylpyridine
CID 3358679
4-ethyl-2-methylpyridine;molecular fluorine
CID 143740700
(2-methyl-4-pyridinyl)methanol;hydrochloride
CID 171364039
2-chloro-4-(chloromethyl)pyridine
CID 11126573
triethyl-[(2-methyl-4-pyridinyl)methyl]silane
CID 132567071
2-(2-methyl-4-pyridinyl)acetaldehyde;hydrochloride
CID 175925815
4-(chloromethyl)-2-methoxypyridine;hydrochloride
CID 22625003
2-methyl-1-(2-methyl-4-pyridinyl)propan-2-amine
CID 82596693
4-butyl-2-methylpyridine;hydrobromide
CID 173184435
4-ethyl-2-methylpyridine;propan-2-ol
CID 145226128

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-methylpyridine?
The IUPAC name of 4-(chloromethyl)-2-methylpyridine (CID 12675262) is 4-(chloromethyl)-2-methylpyridine.
What is the SMILES notation for 4-(chloromethyl)-2-methylpyridine?
The canonical SMILES for 4-(chloromethyl)-2-methylpyridine is Cc1cc(CCl)ccn1.
What is the InChIKey of 4-(chloromethyl)-2-methylpyridine?
The InChIKey is XDDLZDABUCJCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN/c1-6-4-7(5-8)2-3-9-6/h2-4H,5H2,1H3.
What are the key properties of 4-(chloromethyl)-2-methylpyridine?
4-(chloromethyl)-2-methylpyridine has a molecular weight of 141.60 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-methylpyridine is sourced from PubChem (CID 12675262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).