2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile

C15H14ClN3O — CID 107057524

IUPAC2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)Cc2ccccc2)c1Cl
InChIInChI=1S/C15H14ClN3O/c16-14-13(10-17)6-7-18-15(14)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,20H,8-9,11H2
InChIKeyJHLVSZKBELYPPD-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.61
Rot. Bonds5

About 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile

2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile (PubChem CID 107057524) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
PubChem CID107057524
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile
SMILESN#Cc1ccnc(N(CCO)Cc2ccccc2)c1Cl
InChIInChI=1S/C15H14ClN3O/c16-14-13(10-17)6-7-18-15(14)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,20H,8-9,11H2
InChIKeyJHLVSZKBELYPPD-UHFFFAOYSA-N
XLogP2.61
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
2-[benzyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 62115648
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
2-[benzyl-(3-nitro-2-pyridinyl)amino]ethanol
CID 28848522
2-[(3,4-dichlorophenyl)methyl-(3-hydroxypropyl)amino]pyridine-3-carbonitrile
CID 133384106
2-[benzyl(2-hydroxyethyl)amino]-4-bromobenzonitrile
CID 114901754
2-amino-5-[benzyl(2-hydroxyethyl)amino]benzonitrile
CID 115499378
4-[benzyl(2-hydroxyethyl)amino]-3-chlorobenzonitrile
CID 63092619
2-[(3-chloro-4-cyano-2-pyridinyl)-(cyclopropylmethyl)amino]acetic acid
CID 107056300
3-chloro-2-[ethyl(methyl)amino]pyridine-4-carbonitrile
CID 107056896
3-chloro-2-[2-hydroxypropyl(methyl)amino]pyridine-4-carbonitrile
CID 107057550
3-chloro-2-[cyclopropylmethyl(propyl)amino]pyridine-4-carbonitrile
CID 107057155

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile (CID 107057524) is 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile is N#Cc1ccnc(N(CCO)Cc2ccccc2)c1Cl.
What is the InChIKey of 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile?
The InChIKey is JHLVSZKBELYPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O/c16-14-13(10-17)6-7-18-15(14)19(8-9-20)11-12-4-2-1-3-5-12/h1-7,20H,8-9,11H2.
What are the key properties of 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile?
2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile has a molecular weight of 287.75 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(2-hydroxyethyl)amino]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107057524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).