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

C8H5ClF2N2O — CID 118804577

IUPAC6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1cc(O)c(CCl)nc1C(F)F
InChIInChI=1S/C8H5ClF2N2O/c9-2-5-6(14)1-4(3-12)7(13-5)8(10)11/h1,8,14H,2H2
InChIKeyMRHUEDPUKHYDMB-UHFFFAOYSA-N
MW218.59 g/mol
LogP2.34
Rot. Bonds2

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

6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile (PubChem CID 118804577) has the molecular formula C8H5ClF2N2O and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
PubChem CID118804577
Molecular FormulaC8H5ClF2N2O
Molecular Weight218.59 g/mol
Exact Mass218.01
IUPAC Name6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile
SMILESN#Cc1cc(O)c(CCl)nc1C(F)F
InChIInChI=1S/C8H5ClF2N2O/c9-2-5-6(14)1-4(3-12)7(13-5)8(10)11/h1,8,14H,2H2
InChIKeyMRHUEDPUKHYDMB-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-(difluoromethyl)-6-fluoro-5-hydroxypyridine-3-carbonitrile
CID 130075872
2-(chloromethyl)-6-(difluoromethyl)-5-nitropyridin-3-ol
CID 118832842
6-(aminomethyl)-2-(difluoromethyl)-5-(hydroxymethyl)pyridine-3-carbonitrile
CID 118808652
6-(aminomethyl)-2-(difluoromethyl)-5-iodopyridine-3-carbonitrile
CID 118814384
6-(aminomethyl)-5-bromo-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118825680
6-(chloromethyl)-5-(difluoromethyl)-3-hydroxypyridine-2-carbonitrile
CID 118832450
2-(chloromethyl)-3-(difluoromethyl)-6-fluoropyridine-4-carbonitrile
CID 130076123
6-chloro-2-(chloromethyl)-3-(difluoromethyl)pyridine-4-carbonitrile
CID 130071179
6-(chloromethyl)-4-cyano-2-(difluoromethyl)pyridine-3-carboxylic acid
CID 130079169
6-(aminomethyl)-5-(cyanomethyl)-2-(difluoromethyl)pyridine-3-carbonitrile
CID 118803246
2-[6-(chloromethyl)-4-cyano-2-(difluoromethyl)-3-pyridinyl]acetic acid
CID 133106509
2-[5-(chloromethyl)-4-cyano-6-(difluoromethyl)-2-pyridinyl]acetic acid
CID 133106523

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
The IUPAC name of 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile (CID 118804577) is 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile.
What is the SMILES notation for 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
The canonical SMILES for 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile is N#Cc1cc(O)c(CCl)nc1C(F)F.
What is the InChIKey of 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
The InChIKey is MRHUEDPUKHYDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N2O/c9-2-5-6(14)1-4(3-12)7(13-5)8(10)11/h1,8,14H,2H2.
What are the key properties of 6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile?
6-(chloromethyl)-2-(difluoromethyl)-5-hydroxypyridine-3-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)-2-(difluoromethyl)-5-hydroxypyridine-3-carbonitrile is sourced from PubChem (CID 118804577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).