4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile

C9H5F5N2O — CID 133106992

IUPAC4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(CO)nc1C(F)(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)5-1-4(3-17)16-7(6(5)2-15)9(12,13)14/h1,8,17H,3H2
InChIKeyGITHPNVNXAPXBA-UHFFFAOYSA-N
MW252.14 g/mol
LogP2.40
Rot. Bonds2

About 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile

4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 133106992) has the molecular formula C9H5F5N2O and a molecular weight of 252.14 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID133106992
Molecular FormulaC9H5F5N2O
Molecular Weight252.14 g/mol
Exact Mass252.03
IUPAC Name4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(CO)nc1C(F)(F)F
InChIInChI=1S/C9H5F5N2O/c10-8(11)5-1-4(3-17)16-7(6(5)2-15)9(12,13)14/h1,8,17H,3H2
InChIKeyGITHPNVNXAPXBA-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-methyl-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118829480
4-(difluoromethyl)-3-fluoro-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130076168
4-(difluoromethyl)-6-(hydroxymethyl)-3-methylpyridine-2-carbonitrile
CID 118991281
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
4-bromo-2-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 118811585
2-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130071216
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
4-(difluoromethyl)-6-(hydroxymethyl)-3-nitropyridine-2-carbonitrile
CID 119017707
4-(difluoromethyl)-6-(hydroxymethyl)-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 133106439
[4-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-2-pyridinyl]methanol
CID 118851695
3-(difluoromethyl)-5-hydroxy-6-(trifluoromethyl)pyridine-2-carbonitrile
CID 119020295
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile (CID 133106992) is 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(CO)nc1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is GITHPNVNXAPXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2O/c10-8(11)5-1-4(3-17)16-7(6(5)2-15)9(12,13)14/h1,8,17H,3H2.
What are the key properties of 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile?
4-(difluoromethyl)-6-(hydroxymethyl)-2-(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 4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 133106992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).