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

C8H5ClF2N2O — CID 130071247

IUPAC6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(Cl)nc1CO
InChIInChI=1S/C8H5ClF2N2O/c9-7-1-4(8(10)11)5(2-12)6(3-14)13-7/h1,8,14H,3H2
InChIKeyIVJGGRKZDYDCDA-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.04
Rot. Bonds2

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

6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 130071247) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID130071247
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)F)cc(Cl)nc1CO
InChIInChI=1S/C8H5ClF2N2O/c9-7-1-4(8(10)11)5(2-12)6(3-14)13-7/h1,8,14H,3H2
InChIKeyIVJGGRKZDYDCDA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130071234
6-(chloromethyl)-2-(cyanomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130079038
ethyl 6-chloro-3-cyano-4-(difluoromethyl)pyridine-2-carboxylate
CID 134674106
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118806568
6-chloro-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130070893
4-(difluoromethyl)-6-(hydroxymethyl)-2-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106992
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
5-(difluoromethyl)-2-(hydroxymethyl)-3-iodopyridine-4-carbonitrile
CID 130077533
3-amino-6-chloro-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130102428
6-amino-2-(bromomethyl)-4-(difluoromethyl)pyridine-3-carbonitrile
CID 130103415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile (CID 130071247) is 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)F)cc(Cl)nc1CO.
What is the InChIKey of 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is IVJGGRKZDYDCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-7-1-4(8(10)11)5(2-12)6(3-14)13-7/h1,8,14H,3H2.
What are the key properties of 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile?
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-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 6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130071247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).