2-(chloromethyl)-3,4-dimethoxypyridine

C8H10ClNO2 — CID 5079722

IUPAC2-(chloromethyl)-3,4-dimethoxypyridine
SMILESCOc1ccnc(CCl)c1OC
InChIInChI=1S/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3
InChIKeyZWFCXDBCXGDDOM-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.84
Rot. Bonds3

About 2-(chloromethyl)-3,4-dimethoxypyridine

2-(chloromethyl)-3,4-dimethoxypyridine (PubChem CID 5079722) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-(chloromethyl)-3,4-dimethoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-3,4-dimethoxypyridine
PubChem CID5079722
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Name2-(chloromethyl)-3,4-dimethoxypyridine
SMILESCOc1ccnc(CCl)c1OC
InChIInChI=1S/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3
InChIKeyZWFCXDBCXGDDOM-UHFFFAOYSA-N
XLogP1.84
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-dimethoxy-2-pyridinyl)-N-methoxymethanamine
CID 103172527
2-[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfanyl]ethylsulfanylmethyl]-3,4-dimethoxypyridine
CID 176896429
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-2-methylpropan-2-amine
CID 103173955
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-3,4-dimethoxypyridine
CID 103173382
2-benzyl-3,4-dimethoxypyridine
CID 141149610
1-chloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxypropan-2-amine
CID 106180582
N-(2-chloroethyl)-N-[(3,4-dimethoxy-2-pyridinyl)methyl]butan-1-amine
CID 103173931
N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172115
2,4,5-trichloro-N-[(3,4-dimethoxy-2-pyridinyl)methyl]aniline
CID 103172138
3,4-dimethoxy-2-(pyrazol-1-ylmethyl)pyridine
CID 103174085
4-chloro-3-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171993
N-[(3,4-dimethoxy-2-pyridinyl)methyl]-3-methoxy-2-methylpropan-1-amine
CID 103172410

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3,4-dimethoxypyridine?
The IUPAC name of 2-(chloromethyl)-3,4-dimethoxypyridine (CID 5079722) is 2-(chloromethyl)-3,4-dimethoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-3,4-dimethoxypyridine?
The canonical SMILES for 2-(chloromethyl)-3,4-dimethoxypyridine is COc1ccnc(CCl)c1OC.
What is the InChIKey of 2-(chloromethyl)-3,4-dimethoxypyridine?
The InChIKey is ZWFCXDBCXGDDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2/c1-11-7-3-4-10-6(5-9)8(7)12-2/h3-4H,5H2,1-2H3.
What are the key properties of 2-(chloromethyl)-3,4-dimethoxypyridine?
2-(chloromethyl)-3,4-dimethoxypyridine has a molecular weight of 187.63 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3,4-dimethoxypyridine is sourced from PubChem (CID 5079722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).