4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile

C9H7ClF2N2O — CID 130079114

IUPAC4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CO)c(C(F)F)c1CCl
InChIInChI=1S/C9H7ClF2N2O/c10-1-6-5(2-13)3-14-7(4-15)8(6)9(11)12/h3,9,15H,1,4H2
InChIKeySGVLTLYPNFLUNJ-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.12
Rot. Bonds3

About 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile

4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile (PubChem CID 130079114) has the molecular formula C9H7ClF2N2O and a molecular weight of 232.62 g/mol. Its IUPAC name is 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
PubChem CID130079114
Molecular FormulaC9H7ClF2N2O
Molecular Weight232.62 g/mol
Exact Mass232.02
IUPAC Name4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
SMILESN#Cc1cnc(CO)c(C(F)F)c1CCl
InChIInChI=1S/C9H7ClF2N2O/c10-1-6-5(2-13)3-14-7(4-15)8(6)9(11)12/h3,9,15H,1,4H2
InChIKeySGVLTLYPNFLUNJ-UHFFFAOYSA-N
XLogP2.12
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 52.12
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

5-(difluoromethyl)-6-(hydroxymethyl)-4-methoxypyridine-3-carbonitrile
CID 130078069
5-bromo-4-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile
CID 130108971
4-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine-3-carbonitrile
CID 130076160
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
2-[4-(chloromethyl)-3-(difluoromethyl)-5-methyl-2-pyridinyl]acetonitrile
CID 130090393
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
2-[4-(chloromethyl)-3-(difluoromethyl)-5-iodo-2-pyridinyl]acetonitrile
CID 130087449
5-bromo-3-(chloromethyl)-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130108860
6-(aminomethyl)-4-chloro-5-(difluoromethyl)pyridine-3-carbonitrile
CID 118825547
4-(difluoromethyl)-2-(hydroxymethyl)-5-iodopyridine-3-carbonitrile
CID 130077521
3-(chloromethyl)-5-(difluoromethyl)-4-(hydroxymethyl)pyridine-2-carbonitrile
CID 130079090

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile (CID 130079114) is 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile is N#Cc1cnc(CO)c(C(F)F)c1CCl.
What is the InChIKey of 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
The InChIKey is SGVLTLYPNFLUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2N2O/c10-1-6-5(2-13)3-14-7(4-15)8(6)9(11)12/h3,9,15H,1,4H2.
What are the key properties of 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile?
4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile has a molecular weight of 232.62 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-5-(difluoromethyl)-6-(hydroxymethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 130079114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).