2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine

C9H12ClNO — CID 819992

IUPAC2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CCl)c1C
InChIInChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3
InChIKeySRKVJDYNPSMHJM-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.45
Rot. Bonds2

About 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine

2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine (PubChem CID 819992) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
PubChem CID819992
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine
SMILESCOc1c(C)cnc(CCl)c1C
InChIInChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3
InChIKeySRKVJDYNPSMHJM-UHFFFAOYSA-N
XLogP2.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxy-2,3,5-trimethylpyridine
CID 127899
2-(Chloromethyl)-3,5-dimethyl-4-methoxypyridine hydrochloride
CID 11694258
(4-Methoxy-3,5-dimethylpyridin-2-yl)methanamine
CID 14645997
O-((4-Methoxy-3,5-dimethylpyridin-2-yl)methyl)hydroxylamine
CID 79426926
4-Methoxy-2-methylpyridine
CID 4737758
2-(Chloromethyl)-3-methyl-4-(2,2,2-trifluoroethoxy)pyridine hydrochloride
CID 16217647
[(4-Methoxy-3,5-dimethylpyridin-2-yl)methyl](methyl)amine
CID 28399741
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexanamine
CID 47090457
4-Methoxy-N,N,3,5-tetramethyl-2-pyridinemethanamine
CID 25313156
2-(Azidomethyl)-4-methoxy-3,5-dimethylpyridine
CID 25219407
2-Chloromethyl-4-methoxy-pyridine
CID 10487136
5-(Chloromethyl)-2-methoxy-4-methylpyridine
CID 13449093

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
The IUPAC name of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine (CID 819992) is 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine.
What is the SMILES notation for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
The canonical SMILES for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine is COc1c(C)cnc(CCl)c1C.
What is the InChIKey of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
The InChIKey is SRKVJDYNPSMHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-6-5-11-8(4-10)7(2)9(6)12-3/h5H,4H2,1-3H3.
What are the key properties of 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine?
2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine has a molecular weight of 185.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-methoxy-3,5-dimethylpyridine is sourced from PubChem (CID 819992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).