5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

C8H4F5N3 — CID 130103522

IUPAC5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(N)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H4F5N3/c9-7(10)5-4(1-14)16-2-3(15)6(5)8(11,12)13/h2,7H,15H2
InChIKeyLBIZAFGHJBQHCL-UHFFFAOYSA-N
MW237.13 g/mol
LogP2.49
Rot. Bonds1

About 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile

5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 130103522) has the molecular formula C8H4F5N3 and a molecular weight of 237.13 g/mol. Its IUPAC name is 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID130103522
Molecular FormulaC8H4F5N3
Molecular Weight237.13 g/mol
Exact Mass237.03
IUPAC Name5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(N)c(C(F)(F)F)c1C(F)F
InChIInChI=1S/C8H4F5N3/c9-7(10)5-4(1-14)16-2-3(15)6(5)8(11,12)13/h2,7H,15H2
InChIKeyLBIZAFGHJBQHCL-UHFFFAOYSA-N
XLogP2.49
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(difluoromethyl)-5-methyl-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119004811
3-(difluoromethyl)-5-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 119017060
2-[6-cyano-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 133106191
5-(difluoromethyl)-6-iodo-4-(trifluoromethyl)pyridin-3-amine
CID 130105403
3-(difluoromethyl)-4-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 134674727
5-amino-3-(aminomethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130103400
4-(difluoromethyl)-5-formyl-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 119012294
5-amino-4-(difluoromethyl)-3-(hydroxymethyl)pyridine-2-carbonitrile
CID 130103592
3-(difluoromethyl)-4,5-dimethylpyridine-2-carbonitrile
CID 130101091
5-(difluoromethyl)-3-iodo-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 130077417
3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 133107332
4-amino-3-(difluoromethyl)-5-formylpyridine-2-carbonitrile
CID 118816856

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile (CID 130103522) is 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(N)c(C(F)(F)F)c1C(F)F.
What is the InChIKey of 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is LBIZAFGHJBQHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5N3/c9-7(10)5-4(1-14)16-2-3(15)6(5)8(11,12)13/h2,7H,15H2.
What are the key properties of 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile?
5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 237.13 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 130103522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).