2-(2-hydroxyethylamino)pyridine-4-carbonitrile

C8H9N3O — CID 22309035

IUPAC2-(2-hydroxyethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCO)c1
InChIInChI=1S/C8H9N3O/c9-6-7-1-2-10-8(5-7)11-3-4-12/h1-2,5,12H,3-4H2,(H,10,11)
InChIKeyIIUGFZILXJFBEZ-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.36
Rot. Bonds3

About 2-(2-hydroxyethylamino)pyridine-4-carbonitrile

2-(2-hydroxyethylamino)pyridine-4-carbonitrile (PubChem CID 22309035) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)pyridine-4-carbonitrile
PubChem CID22309035
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name2-(2-hydroxyethylamino)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCCO)c1
InChIInChI=1S/C8H9N3O/c9-6-7-1-2-10-8(5-7)11-3-4-12/h1-2,5,12H,3-4H2,(H,10,11)
InChIKeyIIUGFZILXJFBEZ-UHFFFAOYSA-N
XLogP0.36
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)ethylamino]pyridine-4-carbonitrile
CID 24703925
2-(pent-3-ynylamino)pyridine-4-carbonitrile
CID 116644253
2-(2-methylsulfonylethylamino)pyridine-4-carbonitrile
CID 60917893
2-(4-methylpentylamino)pyridine-4-carbonitrile
CID 61039208
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
2-[2-(3,5-difluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 62615257
2-[2-(trifluoromethylsulfanyl)ethylamino]pyridine-4-carbonitrile
CID 106428707
2-(2-methylpropylamino)pyridine-4-carbonitrile
CID 24707878
2-[2-[methyl(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 62642744
2-[(2-amino-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 115303626
2-(2-methylbutan-2-ylamino)pyridine-4-carbonitrile
CID 24702082
2-[2-(2-methylphenyl)ethylamino]pyridine-4-carbonitrile
CID 79749854

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)pyridine-4-carbonitrile (CID 22309035) is 2-(2-hydroxyethylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)pyridine-4-carbonitrile is N#Cc1ccnc(NCCO)c1.
What is the InChIKey of 2-(2-hydroxyethylamino)pyridine-4-carbonitrile?
The InChIKey is IIUGFZILXJFBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-6-7-1-2-10-8(5-7)11-3-4-12/h1-2,5,12H,3-4H2,(H,10,11).
What are the key properties of 2-(2-hydroxyethylamino)pyridine-4-carbonitrile?
2-(2-hydroxyethylamino)pyridine-4-carbonitrile has a molecular weight of 163.18 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 22309035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).