3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine

C9H10ClF2NO2 — CID 130100952

IUPAC3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
SMILESCOc1cc(C(F)F)c(CCl)c(OC)n1
InChIInChI=1S/C9H10ClF2NO2/c1-14-7-3-5(8(11)12)6(4-10)9(13-7)15-2/h3,8H,4H2,1-2H3
InChIKeyWNXSRLKCRGBJRB-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.78
Rot. Bonds4

About 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine

3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine (PubChem CID 130100952) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine.

Molecular Properties

Compound Name3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
PubChem CID130100952
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine
SMILESCOc1cc(C(F)F)c(CCl)c(OC)n1
InChIInChI=1S/C9H10ClF2NO2/c1-14-7-3-5(8(11)12)6(4-10)9(13-7)15-2/h3,8H,4H2,1-2H3
InChIKeyWNXSRLKCRGBJRB-UHFFFAOYSA-N
XLogP2.78
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.63
LogP ≤ 52.78
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

2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methoxypyridine
CID 119017981
4-(difluoromethyl)-2,6-dimethoxy-3-methylpyridine
CID 118835593
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-6-methoxy-2-pyridinyl]acetate
CID 133099017
methyl 2-[6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetate
CID 133099823
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
2-[4-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 118812615
6-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087851
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridine
CID 130097396
2-chloro-3-(chloromethyl)-4-(difluoromethyl)-6-methylpyridine
CID 119013902
[4-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 133084898
2-[2-bromo-4-(difluoromethyl)-6-methoxy-3-pyridinyl]acetic acid
CID 119020607
2-chloro-4-(difluoromethyl)-6-methoxypyridin-3-amine
CID 130102536

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine?
The IUPAC name of 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine (CID 130100952) is 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine.
What is the SMILES notation for 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine?
The canonical SMILES for 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine is COc1cc(C(F)F)c(CCl)c(OC)n1.
What is the InChIKey of 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine?
The InChIKey is WNXSRLKCRGBJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-14-7-3-5(8(11)12)6(4-10)9(13-7)15-2/h3,8H,4H2,1-2H3.
What are the key properties of 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine?
3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine has a molecular weight of 237.63 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-4-(difluoromethyl)-2,6-dimethoxypyridine is sourced from PubChem (CID 130100952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).