2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde

C9H8ClF2NO2 — CID 118815612

IUPAC2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
SMILESCOc1cnc(CCl)c(C(F)F)c1C=O
InChIInChI=1S/C9H8ClF2NO2/c1-15-7-3-13-6(2-10)8(9(11)12)5(7)4-14/h3-4,9H,2H2,1H3
InChIKeyFYZODYKWFFRHEY-UHFFFAOYSA-N
MW235.62 g/mol
LogP2.58
Rot. Bonds4

About 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde

2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde (PubChem CID 118815612) has the molecular formula C9H8ClF2NO2 and a molecular weight of 235.62 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
PubChem CID118815612
Molecular FormulaC9H8ClF2NO2
Molecular Weight235.62 g/mol
Exact Mass235.02
IUPAC Name2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
SMILESCOc1cnc(CCl)c(C(F)F)c1C=O
InChIInChI=1S/C9H8ClF2NO2/c1-15-7-3-13-6(2-10)8(9(11)12)5(7)4-14/h3-4,9H,2H2,1H3
InChIKeyFYZODYKWFFRHEY-UHFFFAOYSA-N
XLogP2.58
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.62
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 118847981
2-(chloromethyl)-4-(difluoromethyl)-3,5-dimethoxypyridine
CID 118854941
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
2-[2-(chloromethyl)-3-(difluoromethyl)-5-methoxy-4-pyridinyl]acetonitrile
CID 118809936
5-bromo-2-(chloromethyl)-4-(difluoromethyl)pyridine-3-carbaldehyde
CID 130070661
4-amino-2-(difluoromethyl)-5-methoxypyridine-3-carbaldehyde
CID 118829242
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112
methyl 2-[3-(chloromethyl)-4-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133099014
4-(chloromethyl)-3-(difluoromethyl)-2,5-dimethoxypyridine
CID 130100950
3-bromo-2-(chloromethyl)-5-(difluoromethyl)pyridine-4-carbaldehyde
CID 130070631
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
2-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-4-carbaldehyde
CID 118826812

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The IUPAC name of 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde (CID 118815612) is 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde.
What is the SMILES notation for 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The canonical SMILES for 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde is COc1cnc(CCl)c(C(F)F)c1C=O.
What is the InChIKey of 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
The InChIKey is FYZODYKWFFRHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO2/c1-15-7-3-13-6(2-10)8(9(11)12)5(7)4-14/h3-4,9H,2H2,1H3.
What are the key properties of 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde?
2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde has a molecular weight of 235.62 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde is sourced from PubChem (CID 118815612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).