(2-Amino-5-chlorophenyl)(pyridin-2-yl)methanone

HCID 288049
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Basic information

CAS
1830-42-8
Standard SMILES
Nc1ccc(Cl)cc1C(=O)c1ccccn1
InChIKey
LMDJMTDZULLTGY-UHFFFAOYSA-N
Molecular formula
C12H9ClN2O
Average molar mass
232.66 g/mol
Monoisotopic mass
232.04034059

Names & identifiers

Preferred name
(2-Amino-5-chlorophenyl)(pyridin-2-yl)methanone
IUPAC
(2-amino-5-chlorophenyl)-pyridin-2-ylmethanone
English name
(2-AMino-5-chlorophenyl)(pyridin-2-yl)Methanone
Molecular formula
C12H9ClN2O
Molecular weight
232.67

Names & synonyms

1830-42-8(2-amino-5-chlorophenyl)(pyridin-2-yl)methanone4-CHLORO-2-(PYRIDINE-2-CARBONYL)ANILINEMethanone, (2-amino-5-chlorophenyl)-2-pyridinyl-MFCD18409820(2-amino-5-chlorophenyl)-pyridin-2-ylmethanoneNSC148463SCHEMBL342047SCHEMBL31366584DTXSID30302084LMDJMTDZULLTGY-UHFFFAOYSA-NAKOS022658414
Show more names
NSC-148463NS-03063DB-388757(2-Amino-5-chlorophenyl)-2-pyridinylmethanone(2-amino-5-chloro-phenyl)-(2-pyridyl)methanone(2-amino-5-chlorophenyl)-pyridin-2-yl-methanone(2-amino-5-chloro-phenyl)-pyridin-2-yl-methanone(2-am ino-5-chloro-phenyl)-pyridin-2-yl-methanone

Database identifiers

CAS
1830-42-8
PubChem CID
288049
DTXSID
DTXSID30302084

Properties

Computed structural properties

XLogP
3
Topological polar surface area
56 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16

Physicochemical properties

Melting point
98.5 · 98.5-101.0 °C
Boiling point
453.5 · 453.5±40.0 °C(Predicted)
Density
1.329 · 1.329±0.06 g/cm3(Predicted)
pka
2.47 · 2.47±0.10(Predicted)

Chemistry & industry

Suppliers6 total

浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
河南伊诺凯新材料有限公司15670530983 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]

Related reactions

21 records
New reaction record

Compound notes

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