5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile

C8H5ClF2N2O — CID 130071262

IUPAC5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(C(F)F)c1CO
InChIInChI=1S/C8H5ClF2N2O/c9-6-2-13-7(8(10)11)5(3-14)4(6)1-12/h2,8,14H,3H2
InChIKeyMXVBJBRGZBGCKJ-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.04
Rot. Bonds2

About 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile

5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile (PubChem CID 130071262) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
PubChem CID130071262
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
SMILESN#Cc1c(Cl)cnc(C(F)F)c1CO
InChIInChI=1S/C8H5ClF2N2O/c9-6-2-13-7(8(10)11)5(3-14)4(6)1-12/h2,8,14H,3H2
InChIKeyMXVBJBRGZBGCKJ-UHFFFAOYSA-N
XLogP2.04
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-5-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071103
2-(difluoromethyl)-3-(hydroxymethyl)-5-methylpyridine-4-carbonitrile
CID 118822625
5-(bromomethyl)-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130078912
2-(difluoromethyl)-4-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077515
[5-chloro-2-(difluoromethyl)-3-methyl-4-pyridinyl]methanol
CID 130074320
3-(chloromethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077383
5-(difluoromethyl)-4-(hydroxymethyl)-2-iodopyridine-3-carbonitrile
CID 130077525
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938
3-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-4-carbonitrile
CID 130077293
2,5-dichloro-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130099195
4-chloro-5-(chloromethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 130071207

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
The IUPAC name of 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile (CID 130071262) is 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile.
What is the SMILES notation for 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile is N#Cc1c(Cl)cnc(C(F)F)c1CO.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
The InChIKey is MXVBJBRGZBGCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-6-2-13-7(8(10)11)5(3-14)4(6)1-12/h2,8,14H,3H2.
What are the key properties of 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile?
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile is sourced from PubChem (CID 130071262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).