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

C9H10ClF2NO2 — CID 130100950

IUPAC4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
SMILESCOc1cnc(OC)c(C(F)F)c1CCl
InChIInChI=1S/C9H10ClF2NO2/c1-14-6-4-13-9(15-2)7(8(11)12)5(6)3-10/h4,8H,3H2,1-2H3
InChIKeyFRZNXRTZWUBXHX-UHFFFAOYSA-N
MW237.63 g/mol
LogP2.78
Rot. Bonds4

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

4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine (PubChem CID 130100950) has the molecular formula C9H10ClF2NO2 and a molecular weight of 237.63 g/mol. Its IUPAC name is 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine.

Molecular Properties

Compound Name4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
PubChem CID130100950
Molecular FormulaC9H10ClF2NO2
Molecular Weight237.63 g/mol
Exact Mass237.04
IUPAC Name4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
SMILESCOc1cnc(OC)c(C(F)F)c1CCl
InChIInChI=1S/C9H10ClF2NO2/c1-14-6-4-13-9(15-2)7(8(11)12)5(6)3-10/h4,8H,3H2,1-2H3
InChIKeyFRZNXRTZWUBXHX-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

3-(difluoromethyl)-2,5-dimethoxypyridin-4-amine
CID 130100785
4-bromo-5-(chloromethyl)-3-(difluoromethyl)-2-methoxypyridine
CID 118799277
[4-(chloromethyl)-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 118840334
3-bromo-4-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100804
5-(chloromethyl)-4-(difluoromethyl)-2-methoxypyridin-3-ol
CID 130083299
5-(chloromethyl)-4-(difluoromethyl)-2-methoxy-3-methylpyridine
CID 130087871
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
3-(difluoromethyl)-2,5-dimethoxypyridine-4-sulfonamide
CID 134670782
[3-(difluoromethyl)-2-fluoro-5-methoxy-4-pyridinyl]methanamine
CID 118841033
4-(bromomethyl)-3-(difluoromethyl)-2-iodo-5-methoxypyridine
CID 130085587

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine?
The IUPAC name of 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine (CID 130100950) is 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine.
What is the SMILES notation for 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine?
The canonical SMILES for 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine is COc1cnc(OC)c(C(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine?
The InChIKey is FRZNXRTZWUBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO2/c1-14-6-4-13-9(15-2)7(8(11)12)5(6)3-10/h4,8H,3H2,1-2H3.
What are the key properties of 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine?
4-(chloromethyl)-3-(difluoromethyl)-2,5-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 4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine is sourced from PubChem (CID 130100950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).