2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde

C9H6F5NO3 — CID 118848960

IUPAC2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1cc(OC(F)(F)F)nc(C(F)F)c1C=O
InChIInChI=1S/C9H6F5NO3/c1-17-5-2-6(18-9(12,13)14)15-7(8(10)11)4(5)3-16/h2-3,8H,1H3
InChIKeyBNFZPKPUMRJZGE-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds4

About 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde

2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde (PubChem CID 118848960) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
PubChem CID118848960
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
SMILESCOc1cc(OC(F)(F)F)nc(C(F)F)c1C=O
InChIInChI=1S/C9H6F5NO3/c1-17-5-2-6(18-9(12,13)14)15-7(8(10)11)4(5)3-16/h2-3,8H,1H3
InChIKeyBNFZPKPUMRJZGE-UHFFFAOYSA-N
XLogP2.74
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethyl)-3-methyl-6-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118831628
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118809091
ethyl 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134668484
2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118815182
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 134677184
[2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 134678172
4-(bromomethyl)-2-(difluoromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine
CID 134668892
2-amino-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119007498
methyl 2-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134659257
2-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 134660080
3-amino-2-(difluoromethyl)-5-methoxypyridine-4-carbaldehyde
CID 130106112

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The IUPAC name of 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde (CID 118848960) is 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde is COc1cc(OC(F)(F)F)nc(C(F)F)c1C=O.
What is the InChIKey of 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
The InChIKey is BNFZPKPUMRJZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-17-5-2-6(18-9(12,13)14)15-7(8(10)11)4(5)3-16/h2-3,8H,1H3.
What are the key properties of 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde?
2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde has a molecular weight of 271.14 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde is sourced from PubChem (CID 118848960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).