2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine

C9H10ClF2NO2 — CID 118854941

IUPAC2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
SMILESCOc1cnc(CCl)c(OC)c1C(F)F
InChIInChI=1S/C9H10ClF2NO2/c1-14-6-4-13-5(3-10)8(15-2)7(6)9(11)12/h4,9H,3H2,1-2H3
InChIKeyLVISIUPWRXPPCE-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.78
Rot. Bonds4

About 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine

2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine (PubChem CID 118854941) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
PubChem CID118854941
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
SMILESCOc1cnc(CCl)c(OC)c1C(F)F
InChIInChI=1S/C9H10ClF2NO2/c1-14-6-4-13-5(3-10)8(15-2)7(6)9(11)12/h4,9H,3H2,1-2H3
InChIKeyLVISIUPWRXPPCE-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-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118815612
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118824029
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
4-(difluoromethyl)-2-(hydroxymethyl)-5-methoxypyridin-3-ol
CID 118835243
2-(chloromethyl)-5-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080662
[4-(difluoromethyl)-5-methoxy-3-(trifluoromethoxy)-2-pyridinyl]methanamine
CID 118825721
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
[4-(difluoromethyl)-3-iodo-5-methoxy-2-pyridinyl]methanol
CID 130085739
2-[3-chloro-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetonitrile
CID 134674914
2-(chloromethyl)-5-methoxy-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine
CID 134671232
5-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-methoxypyridine
CID 130080683

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine?
The IUPAC name of 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine (CID 118854941) is 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine.
What is the SMILES notation for 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine?
The canonical SMILES for 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine is COc1cnc(CCl)c(OC)c1C(F)F.
What is the InChIKey of 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine?
The InChIKey is LVISIUPWRXPPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-14-6-4-13-5(3-10)8(15-2)7(6)9(11)12/h4,9H,3H2,1-2H3.
What are the key properties of 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine?
2-(chloromethyl)-4-(difluoromethyl)-3,5-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 2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine is sourced from PubChem (CID 118854941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).