3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride

C8H6ClF2NO2 — CID 130097501

IUPAC3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
SMILESCOc1ccnc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-14-4-2-3-12-6(7(9)13)5(4)8(10)11/h2-3,8H,1H3
InChIKeySZMLSYWPAQZFNL-UHFFFAOYSA-N
MW221.59 g/mol
LogP2.41
Rot. Bonds3

About 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride

3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride (PubChem CID 130097501) has the molecular formula C8H6ClF2NO2 and a molecular weight of 221.59 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride.

Molecular Properties

Compound Name3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
PubChem CID130097501
Molecular FormulaC8H6ClF2NO2
Molecular Weight221.59 g/mol
Exact Mass221.01
IUPAC Name3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride
SMILESCOc1ccnc(C(=O)Cl)c1C(F)F
InChIInChI=1S/C8H6ClF2NO2/c1-14-4-2-3-12-6(7(9)13)5(4)8(10)11/h2-3,8H,1H3
InChIKeySZMLSYWPAQZFNL-UHFFFAOYSA-N
XLogP2.41
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(difluoromethyl)-5-methoxypyridine-2-carbonyl chloride
CID 118812031
3-(difluoromethyl)-4-methylpyridine-2-carbonyl chloride
CID 130097794
4-(difluoromethyl)-3-hydroxy-5-methoxypyridine-2-carbonyl chloride
CID 118845809
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbonyl chloride
CID 118806978
3-(difluoromethyl)-4-methoxy-2-methylpyridine
CID 130097309
3-(difluoromethyl)-2-iodo-4-methoxypyridine
CID 130096639
2-(difluoromethyl)-3-methoxypyridine-4-carbonyl chloride
CID 118854739
3-(difluoromethyl)-2-fluoro-5-methoxypyridine-4-carbonyl chloride
CID 133105178
1-(4-methoxy-3-methyl-2-pyridinyl)ethanone
CID 84652084
6-(difluoromethyl)-3-fluoro-5-methoxypyridine-2-carbonyl chloride
CID 133105710
6-bromo-5-(difluoromethyl)-3-methoxypyridine-2-carbonyl chloride
CID 134675810
5-(difluoromethyl)-3-methoxy-6-methylpyridine-2-carbonyl chloride
CID 133099566

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride?
The IUPAC name of 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride (CID 130097501) is 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride.
What is the SMILES notation for 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride?
The canonical SMILES for 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride is COc1ccnc(C(=O)Cl)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride?
The InChIKey is SZMLSYWPAQZFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO2/c1-14-4-2-3-12-6(7(9)13)5(4)8(10)11/h2-3,8H,1H3.
What are the key properties of 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride?
3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride has a molecular weight of 221.59 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-methoxypyridine-2-carbonyl chloride is sourced from PubChem (CID 130097501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).