6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde

C9H6F5NO3 — CID 118809091

IUPAC6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6F5NO3/c1-17-5-2-4(3-16)15-6(8(10)11)7(5)18-9(12,13)14/h2-3,8H,1H3
InChIKeyDKJFWCNEGDZLJJ-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.74
Rot. Bonds4

About 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde

6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde (PubChem CID 118809091) has the molecular formula C9H6F5NO3 and a molecular weight of 271.14 g/mol. Its IUPAC name is 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
PubChem CID118809091
Molecular FormulaC9H6F5NO3
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC Name6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde
SMILESCOc1cc(C=O)nc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C9H6F5NO3/c1-17-5-2-4(3-16)15-6(8(10)11)7(5)18-9(12,13)14/h2-3,8H,1H3
InChIKeyDKJFWCNEGDZLJJ-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

6-(difluoromethyl)-4,5-dimethoxypyridine-2-carbaldehyde
CID 118848622
6-(difluoromethyl)-5-iodo-4-methoxypyridine-2-carbaldehyde
CID 118825947
4-(aminomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118818531
2-[6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 118803481
6-(difluoromethyl)-4-methoxy-5-nitropyridine-2-carbaldehyde
CID 118809216
2-(difluoromethyl)-4-methoxy-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118848960
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 118809461
2-(difluoromethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118815182
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 119019596
6-chloro-5-(difluoromethyl)-4-methoxypyridine-2-carbaldehyde
CID 130073904
2-chloro-6-(difluoromethyl)-4-methoxy-3-(trifluoromethoxy)pyridine
CID 119008935
6-(aminomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 118819890

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The IUPAC name of 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde (CID 118809091) is 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde is COc1cc(C=O)nc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
The InChIKey is DKJFWCNEGDZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO3/c1-17-5-2-4(3-16)15-6(8(10)11)7(5)18-9(12,13)14/h2-3,8H,1H3.
What are the key properties of 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde?
6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-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 6-(difluoromethyl)-4-methoxy-5-(trifluoromethoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 118809091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).