3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde

C8H7F2NO2 — CID 174808071

IUPAC3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
SMILESCc1cnc(C=O)c(OC(F)F)c1
InChIInChI=1S/C8H7F2NO2/c1-5-2-7(13-8(9)10)6(4-12)11-3-5/h2-4,8H,1H3
InChIKeyWGDPSZDUKYCXLS-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.80
Rot. Bonds3

About 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde

3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde (PubChem CID 174808071) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
PubChem CID174808071
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde
SMILESCc1cnc(C=O)c(OC(F)F)c1
InChIInChI=1S/C8H7F2NO2/c1-5-2-7(13-8(9)10)6(4-12)11-3-5/h2-4,8H,1H3
InChIKeyWGDPSZDUKYCXLS-UHFFFAOYSA-N
XLogP1.80
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
3-(difluoromethoxy)-5-methylpyridine-2-carbonitrile
CID 130982446
4-chloro-5-(difluoromethoxy)pyridine-2-carbaldehyde
CID 130970189
3-(difluoromethoxy)-5-methyl-2-nitrobenzaldehyde
CID 171032274
2-chloro-5-(difluoromethoxy)pyridine-4-carbaldehyde
CID 131167977
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
4-(difluoromethyl)-5-methoxy-3-methylpyridine-2-carbaldehyde
CID 118834229
2,5-dimethylpyridine-3-carbaldehyde
CID 18731661
2-(difluoromethoxy)-4-formyl-6-methylbenzoic acid
CID 171032084
2-(difluoromethoxy)-5-ethoxyterephthalaldehyde
CID 171026041
4-acetyl-2-(difluoromethoxy)-6-methylbenzaldehyde
CID 171032070

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde (CID 174808071) is 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde is Cc1cnc(C=O)c(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde?
The InChIKey is WGDPSZDUKYCXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-5-2-7(13-8(9)10)6(4-12)11-3-5/h2-4,8H,1H3.
What are the key properties of 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde?
3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde has a molecular weight of 187.15 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 174808071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).