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

C8H5F2N3O — CID 119001249

IUPAC6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(N)nc1C=O
InChIInChI=1S/C8H5F2N3O/c9-7(10)5-1-4(2-11)6(3-14)13-8(5)12/h1,3,7H,(H2,12,13)
InChIKeyUWPUXLXTEYWITI-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.29
Rot. Bonds2

About 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile

6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile (PubChem CID 119001249) has the molecular formula C8H5F2N3O and a molecular weight of 197.14 g/mol. Its IUPAC name is 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
PubChem CID119001249
Molecular FormulaC8H5F2N3O
Molecular Weight197.14 g/mol
Exact Mass197.04
IUPAC Name6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile
SMILESN#Cc1cc(C(F)F)c(N)nc1C=O
InChIInChI=1S/C8H5F2N3O/c9-7(10)5-1-4(2-11)6(3-14)13-8(5)12/h1,3,7H,(H2,12,13)
InChIKeyUWPUXLXTEYWITI-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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Related Compounds

6-amino-5-(difluoromethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 119014969
5-(difluoromethyl)-6-formyl-2-methoxypyridine-3-carbonitrile
CID 130078112
6-(difluoromethyl)-2-formyl-5-nitropyridine-3-carbonitrile
CID 130078756
6-(difluoromethyl)-3-fluoro-2-formylpyridine-4-carbonitrile
CID 118844899
5-amino-2-formyl-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 133095315
5-amino-4-(difluoromethyl)-6-formylpyridine-3-carbonitrile
CID 130103617
2-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106404
3-(difluoromethyl)-6-formyl-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990957
6-amino-2-cyano-5-(difluoromethyl)pyridine-3-sulfonyl chloride
CID 130103708
2-(difluoromethyl)-3-fluoro-6-formylpyridine-4-carbonitrile
CID 130076245
5-(difluoromethyl)-3-formyl-6-iodopyridine-2-carbonitrile
CID 130077549
5-(difluoromethyl)-6-iodo-2-nitropyridine-3-carbonitrile
CID 130077265

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile?
The IUPAC name of 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile (CID 119001249) is 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile.
What is the SMILES notation for 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile?
The canonical SMILES for 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile is N#Cc1cc(C(F)F)c(N)nc1C=O.
What is the InChIKey of 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile?
The InChIKey is UWPUXLXTEYWITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2N3O/c9-7(10)5-1-4(2-11)6(3-14)13-8(5)12/h1,3,7H,(H2,12,13).
What are the key properties of 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile?
6-amino-5-(difluoromethyl)-2-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 6-amino-5-(difluoromethyl)-2-formylpyridine-3-carbonitrile is sourced from PubChem (CID 119001249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).