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

C7H5ClN2O — CID 121362106

IUPAC5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CO)c(Cl)cn1
InChIInChI=1S/C7H5ClN2O/c8-7-3-10-6(2-9)1-5(7)4-11/h1,3,11H,4H2
InChIKeyQJNHLEUECHLJLG-UHFFFAOYSA-N
MW168.58 g/mol
LogP1.10
Rot. Bonds1

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

5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile (PubChem CID 121362106) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile
PubChem CID121362106
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Name5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile
SMILESN#Cc1cc(CO)c(Cl)cn1
InChIInChI=1S/C7H5ClN2O/c8-7-3-10-6(2-9)1-5(7)4-11/h1,3,11H,4H2
InChIKeyQJNHLEUECHLJLG-UHFFFAOYSA-N
XLogP1.10
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile (CID 121362106) is 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile is N#Cc1cc(CO)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile?
The InChIKey is QJNHLEUECHLJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O/c8-7-3-10-6(2-9)1-5(7)4-11/h1,3,11H,4H2.
What are the key properties of 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile?
5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile has a molecular weight of 168.58 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(hydroxymethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 121362106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).