4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile

C8H5F2N3O — CID 118816856

IUPAC4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
SMILESN#Cc1ncc(C=O)c(N)c1C(F)F
InChIInChI=1S/C8H5F2N3O/c9-8(10)6-5(1-11)13-2-4(3-14)7(6)12/h2-3,8H,(H2,12,13)
InChIKeyHQLPLCYZAHJKOG-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.29
Rot. Bonds2

About 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile

4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile (PubChem CID 118816856) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile.

Molecular Properties

Compound Name4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
PubChem CID118816856
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
SMILESN#Cc1ncc(C=O)c(N)c1C(F)F
InChIInChI=1S/C8H5F2N3O/c9-8(10)6-5(1-11)13-2-4(3-14)7(6)12/h2-3,8H,(H2,12,13)
InChIKeyHQLPLCYZAHJKOG-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'}

Analyze 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
4-amino-6-(aminomethyl)-5-(difluoromethyl)pyridine-3-carbaldehyde
CID 118801124
2-[4-amino-6-cyano-5-(difluoromethyl)-3-pyridinyl]acetic acid
CID 118840121
4-amino-5-(difluoromethyl)-6-methoxypyridine-3-carbaldehyde
CID 118817700
4-(difluoromethyl)-5-fluoro-3-formylpyridine-2-carbonitrile
CID 130076214
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
4-(difluoromethyl)-3-formyl-5-hydroxypyridine-2-carbonitrile
CID 130076823
methyl 5-amino-6-cyano-4-(difluoromethyl)pyridine-3-carboxylate
CID 130103653
4-amino-6-(difluoromethyl)-5-fluoropyridine-3-carbaldehyde
CID 118851291
4-(difluoromethyl)-5-formyl-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106249
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130103522
2-(chloromethyl)-4-(difluoromethyl)-5-formylpyridine-3-carbonitrile
CID 130079122

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The IUPAC name of 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile (CID 118816856) is 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile.
What is the SMILES notation for 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The canonical SMILES for 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile is N#Cc1ncc(C=O)c(N)c1C(F)F.
What is the InChIKey of 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
The InChIKey is HQLPLCYZAHJKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-8(10)6-5(1-11)13-2-4(3-14)7(6)12/h2-3,8H,(H2,12,13).
What are the key properties of 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile?
4-amino-3-(difluoromethyl)-5-formylpyridine-2-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 4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile is sourced from PubChem (CID 118816856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).