1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride

C13H13ClN2O — CID 173093690

IUPAC1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride
SMILESCl.Nc1ccccc1C(=O)Cc1ccncc1
InChIInChI=1S/C13H12N2O.ClH/c14-12-4-2-1-3-11(12)13(16)9-10-5-7-15-8-6-10;/h1-8H,9,14H2;1H
InChIKeyJLWWWOHCZZCAKH-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.51
Rot. Bonds3

About 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride

1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride (PubChem CID 173093690) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride
PubChem CID173093690
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride
SMILESCl.Nc1ccccc1C(=O)Cc1ccncc1
InChIInChI=1S/C13H12N2O.ClH/c14-12-4-2-1-3-11(12)13(16)9-10-5-7-15-8-6-10;/h1-8H,9,14H2;1H
InChIKeyJLWWWOHCZZCAKH-UHFFFAOYSA-N
XLogP2.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminophenyl)-2-(4-methoxyphenyl)ethanone
CID 15573867
2-pyridin-4-yl-1-quinoxalin-5-ylethanone
CID 105110514
2-aminobenzoic acid;4-phenylpyridine
CID 139196914
1-(2-aminophenyl)-2-(2-methylphenyl)ethanone
CID 64832569
1-(6-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-2-chloro(1,2-13C2)ethanone
CID 169433412
4-amino-1-(2-aminophenyl)butan-1-one
CID 54530410
1-(2-fluoro-3-methoxyphenyl)-2-pyridin-4-ylethanone
CID 82808484
2-amino-N-pyridin-4-ylbenzamide
CID 5080262
1-(2-aminophenyl)-3-trimethylsilylpropan-1-one;hydrochloride
CID 86718836
2-(4-aminophenyl)-1-pyridin-4-ylethanone
CID 154541759
1-(2-aminophenyl)-2-methylsulfinylethanone
CID 14358427
1-(2-aminophenyl)but-3-yn-1-one
CID 64831983

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride?
The IUPAC name of 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride (CID 173093690) is 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride.
What is the SMILES notation for 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride?
The canonical SMILES for 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride is Cl.Nc1ccccc1C(=O)Cc1ccncc1.
What is the InChIKey of 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride?
The InChIKey is JLWWWOHCZZCAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O.ClH/c14-12-4-2-1-3-11(12)13(16)9-10-5-7-15-8-6-10;/h1-8H,9,14H2;1H.
What are the key properties of 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride?
1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride has a molecular weight of 248.71 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-2-pyridin-4-ylethanone;hydrochloride is sourced from PubChem (CID 173093690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).