2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone

C13H10Cl2N2O — CID 81491660

IUPAC2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
SMILESNc1cc(CC(=O)c2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C13H10Cl2N2O/c14-10-2-1-9(7-11(10)15)12(18)5-8-3-4-17-13(16)6-8/h1-4,6-7H,5H2,(H2,16,17)
InChIKeyGNOAXUNALXBWQC-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.40
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone

2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone (PubChem CID 81491660) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
PubChem CID81491660
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone
SMILESNc1cc(CC(=O)c2ccc(Cl)c(Cl)c2)ccn1
InChIInChI=1S/C13H10Cl2N2O/c14-10-2-1-9(7-11(10)15)12(18)5-8-3-4-17-13(16)6-8/h1-4,6-7H,5H2,(H2,16,17)
InChIKeyGNOAXUNALXBWQC-UHFFFAOYSA-N
XLogP3.40
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-aminophenyl)-1-(3,4-dichlorophenyl)ethanone
CID 116577263
2-(2-amino-4-pyridinyl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 106950901
1-(3-amino-5-bromophenyl)-2-(2-amino-4-pyridinyl)ethanone
CID 116597144
1-(3-chloro-4-iodophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 103214014
4-[(3,4-dichlorophenyl)methyl]pyridin-2-amine
CID 54402411
1-(3,4-dichlorophenyl)-2-(3,5-difluorophenyl)ethanone
CID 63409918
2-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
2-[4-(2-amino-1H-imidazol-5-yl)phenyl]-1-(3,4-dichlorophenyl)ethanone
CID 158314865
4-[2-amino-2-(3,4-dichlorophenyl)ethyl]pyridin-2-amine
CID 81492517
2-(2-amino-4-pyridinyl)-1-(2,3,4-trifluorophenyl)ethanone
CID 114017886
2-(2-amino-4-pyridinyl)-1-(5-fluoro-2-pyridinyl)ethanone
CID 79722239
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone (CID 81491660) is 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone is Nc1cc(CC(=O)c2ccc(Cl)c(Cl)c2)ccn1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone?
The InChIKey is GNOAXUNALXBWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-2-1-9(7-11(10)15)12(18)5-8-3-4-17-13(16)6-8/h1-4,6-7H,5H2,(H2,16,17).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone?
2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone has a molecular weight of 281.14 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 81491660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).