2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile

C14H12ClN3O — CID 83077491

IUPAC2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NC(CO)c2ccccc2)c1
InChIInChI=1S/C14H12ClN3O/c15-13-6-10(8-16)7-14(18-13)17-12(9-19)11-4-2-1-3-5-11/h1-7,12,19H,9H2,(H,17,18)
InChIKeyXWWYOQUVZLPKCI-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile

2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile (PubChem CID 83077491) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
PubChem CID83077491
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NC(CO)c2ccccc2)c1
InChIInChI=1S/C14H12ClN3O/c15-13-6-10(8-16)7-14(18-13)17-12(9-19)11-4-2-1-3-5-11/h1-7,12,19H,9H2,(H,17,18)
InChIKeyXWWYOQUVZLPKCI-UHFFFAOYSA-N
XLogP2.75
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile
CID 63183198
(2R)-2-[(6-chloropyrimidin-4-yl)amino]-2-phenylethanol
CID 129369078
(2S)-2-[(6-ethyl-2-methylpyrimidin-4-yl)amino]-2-phenylethanol
CID 133460882
2-[(2-hydroxy-1-phenylethyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107552024
2-chloro-6-[(1-hydroxy-4-methylpentan-3-yl)amino]pyridine-4-carbonitrile
CID 106352536
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
2-[1-(3-bromophenyl)ethylamino]-6-chloropyridine-4-carbonitrile
CID 83072667
2-(butan-2-ylamino)-6-chloropyridine-4-carbonitrile
CID 83072944
2-chloro-6-[1-(4-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83074609
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
2-[(5-chloro-2-pyridinyl)amino]-2-phenylethanol
CID 55159998
4-[(6-chloro-2-cyclopropylpyrimidin-4-yl)amino]-4-phenylbutanenitrile
CID 133421854

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile (CID 83077491) is 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NC(CO)c2ccccc2)c1.
What is the InChIKey of 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
The InChIKey is XWWYOQUVZLPKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c15-13-6-10(8-16)7-14(18-13)17-12(9-19)11-4-2-1-3-5-11/h1-7,12,19H,9H2,(H,17,18).
What are the key properties of 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile has a molecular weight of 273.72 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(2-hydroxy-1-phenylethyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 83077491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).