5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

C9H5F5N2O — CID 133107002

IUPAC5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)c(C(F)F)c1CO
InChIInChI=1S/C9H5F5N2O/c10-8(11)6-5(3-17)4(1-15)2-16-7(6)9(12,13)14/h2,8,17H,3H2
InChIKeyZJAGPSNMPPWLJW-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.40
Rot. Bonds2

About 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile

5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133107002) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133107002
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(C(F)(F)F)c(C(F)F)c1CO
InChIInChI=1S/C9H5F5N2O/c10-8(11)6-5(3-17)4(1-15)2-16-7(6)9(12,13)14/h2,8,17H,3H2
InChIKeyZJAGPSNMPPWLJW-UHFFFAOYSA-N
XLogP2.40
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.14
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
5-(difluoromethyl)-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134685708
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130079114
4-(difluoromethyl)-5-nitro-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 134675290
2-[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118801473
2-[4-(difluoromethyl)-5-hydroxy-2-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 118851080
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118839353
2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119023577
5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 133107002) is 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1cnc(C(F)(F)F)c(C(F)F)c1CO.
What is the InChIKey of 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is ZJAGPSNMPPWLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c10-8(11)6-5(3-17)4(1-15)2-16-7(6)9(12,13)14/h2,8,17H,3H2.
What are the key properties of 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile?
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 252.14 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133107002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).