5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile

C8H8ClN3O — CID 58554205

IUPAC5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCCO)c(Cl)c1
InChIInChI=1S/C8H8ClN3O/c9-7-3-6(4-10)5-12-8(7)11-1-2-13/h3,5,13H,1-2H2,(H,11,12)
InChIKeyJSELADUAFLUMBZ-UHFFFAOYSA-N
MW197.62 g/mol
LogP1.01
Rot. Bonds3

About 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile

5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile (PubChem CID 58554205) has the molecular formula C8H8ClN3O and a molecular weight of 197.62 g/mol. Its IUPAC name is 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
PubChem CID58554205
Molecular FormulaC8H8ClN3O
Molecular Weight197.62 g/mol
Exact Mass197.04
IUPAC Name5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile
SMILESN#Cc1cnc(NCCO)c(Cl)c1
InChIInChI=1S/C8H8ClN3O/c9-7-3-6(4-10)5-12-8(7)11-1-2-13/h3,5,13H,1-2H2,(H,11,12)
InChIKeyJSELADUAFLUMBZ-UHFFFAOYSA-N
XLogP1.01
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.62
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile (CID 58554205) is 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile is N#Cc1cnc(NCCO)c(Cl)c1.
What is the InChIKey of 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
The InChIKey is JSELADUAFLUMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O/c9-7-3-6(4-10)5-12-8(7)11-1-2-13/h3,5,13H,1-2H2,(H,11,12).
What are the key properties of 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile?
5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile has a molecular weight of 197.62 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2-hydroxyethylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 58554205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).