2-aminobenzamide;2-chloropyridine

C12H12ClN3O — CID 174256918

IUPAC2-aminobenzamide;2-chloropyridine
SMILESClc1ccccn1.NC(=O)c1ccccc1N
InChIInChI=1S/C7H8N2O.C5H4ClN/c8-6-4-2-1-3-5(6)7(9)10;6-5-3-1-2-4-7-5/h1-4H,8H2,(H2,9,10);1-4H
InChIKeyIAPMLTVDVJADPA-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.10
Rot. Bonds1

About 2-aminobenzamide;2-chloropyridine

2-aminobenzamide;2-chloropyridine (PubChem CID 174256918) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-aminobenzamide;2-chloropyridine.

Molecular Properties

Compound Name2-aminobenzamide;2-chloropyridine
PubChem CID174256918
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-aminobenzamide;2-chloropyridine
SMILESClc1ccccn1.NC(=O)c1ccccc1N
InChIInChI=1S/C7H8N2O.C5H4ClN/c8-6-4-2-1-3-5(6)7(9)10;6-5-3-1-2-4-7-5/h1-4H,8H2,(H2,9,10);1-4H
InChIKeyIAPMLTVDVJADPA-UHFFFAOYSA-N
XLogP2.10
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-aminobenzamide;piperazine
CID 174878244
sodium;2-chloropyridine;hydride
CID 174250475
2-aminobenzamide;benzenecarbothioamide
CID 175524927
benzene-1,2-dicarboxamide;2-(trifluoromethyl)pyridine
CID 175305816
2-chloropyridine;iodomethane
CID 15747513
2-chloropyridine;copper;pentane-2,4-dione
CID 174556580
2-(pyridin-2-ylamino)pyridine-3-carboxamide
CID 172773445
(E)-1-(2-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 102588923
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
2-(3-pyridin-2-yl-2-pyridinyl)pyridine-3-carboxamide
CID 91031305
2-aminobenzamide;1H-pyridin-2-one
CID 68828870

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzamide;2-chloropyridine?
The IUPAC name of 2-aminobenzamide;2-chloropyridine (CID 174256918) is 2-aminobenzamide;2-chloropyridine.
What is the SMILES notation for 2-aminobenzamide;2-chloropyridine?
The canonical SMILES for 2-aminobenzamide;2-chloropyridine is Clc1ccccn1.NC(=O)c1ccccc1N.
What is the InChIKey of 2-aminobenzamide;2-chloropyridine?
The InChIKey is IAPMLTVDVJADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O.C5H4ClN/c8-6-4-2-1-3-5(6)7(9)10;6-5-3-1-2-4-7-5/h1-4H,8H2,(H2,9,10);1-4H.
What are the key properties of 2-aminobenzamide;2-chloropyridine?
2-aminobenzamide;2-chloropyridine has a molecular weight of 249.70 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzamide;2-chloropyridine is sourced from PubChem (CID 174256918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).