6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

C8H5ClF2N2O — CID 118832450

IUPAC6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)c(C(F)F)cc1O
InChIInChI=1S/C8H5ClF2N2O/c9-2-5-4(8(10)11)1-7(14)6(3-12)13-5/h1,8,14H,2H2
InChIKeyDCHMNGCQCLQJIP-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.34
Rot. Bonds2

About 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile

6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (PubChem CID 118832450) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
PubChem CID118832450
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
SMILESN#Cc1nc(CCl)c(C(F)F)cc1O
InChIInChI=1S/C8H5ClF2N2O/c9-2-5-4(8(10)11)1-7(14)6(3-12)13-5/h1,8,14H,2H2
InChIKeyDCHMNGCQCLQJIP-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[6-cyano-3-(difluoromethyl)-5-hydroxy-2-pyridinyl]acetic acid
CID 130076972
6-bromo-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118996006
methyl 6-(chloromethyl)-2-cyano-5-(difluoromethyl)pyridine-3-carboxylate
CID 133107008
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
2-chloro-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119021941
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
CID 118804577
6-(chloromethyl)-4-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 130076129
6-(aminomethyl)-5-(difluoromethyl)-3-fluoropyridine-2-carbonitrile
CID 118831507
2-[6-(chloromethyl)-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetonitrile
CID 118826950
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883
3-(aminomethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-2-carbonitrile
CID 130078808

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The IUPAC name of 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile (CID 118832450) is 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is N#Cc1nc(CCl)c(C(F)F)cc1O.
What is the InChIKey of 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
The InChIKey is DCHMNGCQCLQJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-2-5-4(8(10)11)1-7(14)6(3-12)13-5/h1,8,14H,2H2.
What are the key properties of 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile?
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile has a molecular weight of 218.59 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile is sourced from PubChem (CID 118832450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).