5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile

C8H5F2N3O — CID 130103617

IUPAC5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
SMILESN#Cc1cnc(C=O)c(N)c1C(F)F
InChIInChI=1S/C8H5F2N3O/c9-8(10)6-4(1-11)2-13-5(3-14)7(6)12/h2-3,8H,12H2
InChIKeyXLFJBPBUUAWWTE-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.29
Rot. Bonds2

About 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile

5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile (PubChem CID 130103617) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
PubChem CID130103617
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
SMILESN#Cc1cnc(C=O)c(N)c1C(F)F
InChIInChI=1S/C8H5F2N3O/c9-8(10)6-4(1-11)2-13-5(3-14)7(6)12/h2-3,8H,12H2
InChIKeyXLFJBPBUUAWWTE-UHFFFAOYSA-N
XLogP1.29
TPSA79.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile?
The IUPAC name of 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile (CID 130103617) is 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile?
The canonical SMILES for 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile is N#Cc1cnc(C=O)c(N)c1C(F)F.
What is the InChIKey of 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile?
The InChIKey is XLFJBPBUUAWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-8(10)6-4(1-11)2-13-5(3-14)7(6)12/h2-3,8H,12H2.
What are the key properties of 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile?
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile has a molecular weight of 197.14 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile is sourced from PubChem (CID 130103617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).