2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile

C9H6F2N2O2 — CID 118800032

IUPAC2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C(F)F)ncc(C=O)c1C#N
InChIInChI=1S/C9H6F2N2O2/c1-15-8-6(2-12)5(4-14)3-13-7(8)9(10)11/h3-4,9H,1H3
InChIKeyIJPNAZNLVQVBPK-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.71
Rot. Bonds3

About 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile

2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile (PubChem CID 118800032) has the molecular formula C9H6F2N2O2 and a molecular weight of 212.16 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
PubChem CID118800032
Molecular FormulaC9H6F2N2O2
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile
SMILESCOc1c(C(F)F)ncc(C=O)c1C#N
InChIInChI=1S/C9H6F2N2O2/c1-15-8-6(2-12)5(4-14)3-13-7(8)9(10)11/h3-4,9H,1H3
InChIKeyIJPNAZNLVQVBPK-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

5-Methoxy-3-pyridinecarboxaldehyde
CID 10975549
2,2,8-trimethyl-4H-(1,3)dioxino(4,5-c)pyridine-5-carbaldehyde
CID 15619946
2-Fluoro-5-methoxypyridine-3-carbaldehyde
CID 58259412
3-Methoxy-5-(trifluoromethyl)picolinaldehyde
CID 129958321
Methyl 6-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 89600889
Methyl 2-(difluoromethyl)-5-methoxypyridine-3-carboxylate
CID 89601073
4-Desoxyisopyridoxal
CID 97438
1-[5-(Fluoromethoxy)-3-pyridinyl]ethanone
CID 20802832
1-(5-(Trifluoromethoxy)pyridin-3-YL)ethanone
CID 72211574
2-Fluoro-3-methoxypyridine-5-carbaldehyde
CID 72213551
Ethanone, 1-[5-(difluoromethoxy)-3-pyridinyl]-
CID 89601451
5-(fluoromethoxy)-N,6-dimethylpyridine-3-carboxamide
CID 91562119

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile (CID 118800032) is 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile is COc1c(C(F)F)ncc(C=O)c1C#N.
What is the InChIKey of 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile?
The InChIKey is IJPNAZNLVQVBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2O2/c1-15-8-6(2-12)5(4-14)3-13-7(8)9(10)11/h3-4,9H,1H3.
What are the key properties of 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile?
2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-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 2-(difluoromethyl)-5-formyl-3-methoxypyridine-4-carbonitrile is sourced from PubChem (CID 118800032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).