5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile

C9H6F2N2O2 — CID 130078112

IUPAC5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C=O)c(C(F)F)cc1C#N
InChIInChI=1S/C9H6F2N2O2/c1-15-9-5(3-12)2-6(8(10)11)7(4-14)13-9/h2,4,8H,1H3
InChIKeyOAELBABUFWWCGT-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.71
Rot. Bonds3

About 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile

5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile (PubChem CID 130078112) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
PubChem CID130078112
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
SMILESCOc1nc(C=O)c(C(F)F)cc1C#N
InChIInChI=1S/C9H6F2N2O2/c1-15-9-5(3-12)2-6(8(10)11)7(4-14)13-9/h2,4,8H,1H3
InChIKeyOAELBABUFWWCGT-UHFFFAOYSA-N
XLogP1.71
TPSA62.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.71
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

4-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078106
6-(difluoromethyl)-2-methoxy-5-methylpyridine-3-carbonitrile
CID 130077911
6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
CID 119001249
5-chloro-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130071015
4-(difluoromethyl)-6-formyl-3-methoxypyridine-2-carbonitrile
CID 119024722
5-(aminomethyl)-6-(difluoromethyl)-2-methoxypyridine-3-carbonitrile
CID 130077933
4-(difluoromethyl)-6-methoxy-3-methylpyridine-2-carbaldehyde
CID 118812855
6-(aminomethyl)-3-(difluoromethyl)-5-methoxypyridine-2-carbaldehyde
CID 118836807
2-ethoxy-6-formyl-5-nitrosopyridine-3-carbonitrile
CID 88881462
5-(difluoromethyl)-6-methoxy-2-(trifluoromethyl)pyridine-3-carbaldehyde
CID 133099027
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile (CID 130078112) is 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile is COc1nc(C=O)c(C(F)F)cc1C#N.
What is the InChIKey of 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile?
The InChIKey is OAELBABUFWWCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c1-15-9-5(3-12)2-6(8(10)11)7(4-14)13-9/h2,4,8H,1H3.
What are the key properties of 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile?
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile has a molecular weight of 212.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 130078112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).