5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde

C8H6F3NO — CID 130081157

IUPAC5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
SMILESCc1c(C(F)F)cnc(C=O)c1F
InChIInChI=1S/C8H6F3NO/c1-4-5(8(10)11)2-12-6(3-13)7(4)9/h2-3,8H,1H3
InChIKeyZKXHIJWDEFNCEY-UHFFFAOYSA-N
MW189.14 g/mol
LogP2.28
Rot. Bonds2

About 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde

5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde (PubChem CID 130081157) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
PubChem CID130081157
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde
SMILESCc1c(C(F)F)cnc(C=O)c1F
InChIInChI=1S/C8H6F3NO/c1-4-5(8(10)11)2-12-6(3-13)7(4)9/h2-3,8H,1H3
InChIKeyZKXHIJWDEFNCEY-UHFFFAOYSA-N
XLogP2.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-3-fluoro-4-(trifluoromethyl)pyridine-2-carbaldehyde
CID 130082471
5-(difluoromethyl)-2-fluoro-4-methylpyridine-3-carbaldehyde
CID 130081163
5-(difluoromethyl)-3-fluoro-2,4-dimethylpyridine
CID 130101103
5-(difluoromethyl)-4-fluoro-3-(trifluoromethyl)pyridine-2-carbaldehyde
CID 133104330
3,4-dichloro-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 130099393
3-(difluoromethyl)-5-iodo-4-methylpyridine-2-carbaldehyde
CID 130086216
deuterioethane;2-ethenyl-3-fluoro-4,5-dimethylpyridine;3-fluoro-4,5-dimethylpyridine-2-carbaldehyde
CID 159658092
2-bromo-5-(difluoromethyl)-4-fluoro-3-methylpyridine
CID 130109380
5-bromo-3-(difluoromethyl)pyridine-2-carbaldehyde
CID 130095219
3-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073927
4-(difluoromethyl)-3-methyl-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118846177
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde (CID 130081157) is 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde is Cc1c(C(F)F)cnc(C=O)c1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde?
The InChIKey is ZKXHIJWDEFNCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-4-5(8(10)11)2-12-6(3-13)7(4)9/h2-3,8H,1H3.
What are the key properties of 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde?
5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde has a molecular weight of 189.14 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-4-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 130081157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).