3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile

C13H7FN2O — CID 146636310

IUPAC3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(C=O)cc2)cc1F
InChIInChI=1S/C13H7FN2O/c14-12-5-11(7-16-13(12)6-15)10-3-1-9(8-17)2-4-10/h1-5,7-8H
InChIKeyLVAHJBZDJFLTDL-UHFFFAOYSA-N
MW226.21 g/mol
LogP2.57
Rot. Bonds2

About 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile

3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile (PubChem CID 146636310) has the molecular formula C13H7FN2O and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
PubChem CID146636310
Molecular FormulaC13H7FN2O
Molecular Weight226.21 g/mol
Exact Mass226.05
IUPAC Name3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(-c2ccc(C=O)cc2)cc1F
InChIInChI=1S/C13H7FN2O/c14-12-5-11(7-16-13(12)6-15)10-3-1-9(8-17)2-4-10/h1-5,7-8H
InChIKeyLVAHJBZDJFLTDL-UHFFFAOYSA-N
XLogP2.57
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 52.57
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

4-(6-chloro-5-fluoro-3-pyridinyl)benzaldehyde
CID 118798759
5-(3,4-dichlorophenyl)-3-fluoropyridine-2-carbonitrile
CID 133095931
3-fluoro-5-(2-methyl-4-pyridinyl)pyridine-2-carbonitrile
CID 90167151
4-(6-fluoro-5-methoxy-3-pyridinyl)benzaldehyde
CID 157022323
2-amino-5-(4-formylphenyl)pyridine-3-carbaldehyde
CID 145269302
4-(3,5-difluorophenyl)benzaldehyde
CID 11367947
2-(4-formylphenyl)-5-methylpyridine-3-carbonitrile
CID 143194342
ethane;3-fluoro-5-methylpyridine-2-carbonitrile
CID 143407893
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
3-fluoro-5-([1,2,4]triazolo[1,5-a]pyridin-5-yl)pyridine-2-carbonitrile
CID 122540372
4-(6-cyano-5-fluoro-3-pyridinyl)but-3-enoic acid
CID 170483507
N-[5-(6-cyano-5-fluoro-3-pyridinyl)pyrazin-2-yl]cyclobutanecarboxamide
CID 121271978

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile?
The IUPAC name of 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile (CID 146636310) is 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile is N#Cc1ncc(-c2ccc(C=O)cc2)cc1F.
What is the InChIKey of 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile?
The InChIKey is LVAHJBZDJFLTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FN2O/c14-12-5-11(7-16-13(12)6-15)10-3-1-9(8-17)2-4-10/h1-5,7-8H.
What are the key properties of 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile?
3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile has a molecular weight of 226.21 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(4-formylphenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 146636310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).