(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone

C12H9ClN2O — CID 53414372

IUPAC(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone
SMILESNc1cnccc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClN2O/c13-9-3-1-2-8(6-9)12(16)10-4-5-15-7-11(10)14/h1-7H,14H2
InChIKeyWKBJTHIDZZBPJU-UHFFFAOYSA-N
MW232.67 g/mol
LogP2.55
Rot. Bonds2

About (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone

(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone (PubChem CID 53414372) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone
PubChem CID53414372
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone
SMILESNc1cnccc1C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H9ClN2O/c13-9-3-1-2-8(6-9)12(16)10-4-5-15-7-11(10)14/h1-7H,14H2
InChIKeyWKBJTHIDZZBPJU-UHFFFAOYSA-N
XLogP2.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-pyridinyl)-pyridin-3-ylmethanone
CID 53414422
(3-amino-4-pyridinyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 53414379
(2-amino-4-bromophenyl)-(3-chlorophenyl)methanone
CID 116591876
(3-chlorophenyl)-(4,5-dichloro-2-hydroxyphenyl)methanone
CID 70624009
(3-aminophenyl)-(3-chlorophenyl)methanone
CID 82115907
(3-chloro-4-pyridinyl)-(3-methylphenyl)methanone
CID 105079332
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(2-amino-5-nitrophenyl)-(3-chlorophenyl)methanone
CID 5231026
(5-chloro-2-fluorophenyl)-(3-chlorophenyl)methanone
CID 112694065
CID 24798848
CID 24798848
4-(3-chlorophenyl)pyridin-3-amine
CID 82396448
(3-chlorophenyl)-(1,3-oxazol-5-yl)methanone
CID 162417493

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone?
The IUPAC name of (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone (CID 53414372) is (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone?
The canonical SMILES for (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone is Nc1cnccc1C(=O)c1cccc(Cl)c1.
What is the InChIKey of (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone?
The InChIKey is WKBJTHIDZZBPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-3-1-2-8(6-9)12(16)10-4-5-15-7-11(10)14/h1-7H,14H2.
What are the key properties of (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone?
(3-amino-4-pyridinyl)-(3-chlorophenyl)methanone has a molecular weight of 232.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-pyridinyl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 53414372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).