6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide

C12H8BrCl2N3O — CID 107793435

IUPAC6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1
InChIInChI=1S/C12H8BrCl2N3O/c13-7-2-3-8(11(15)10(7)14)18-12(19)6-1-4-9(16)17-5-6/h1-5H,(H2,16,17)(H,18,19)
InChIKeyKJTRNCMOXQHPRI-UHFFFAOYSA-N
MW361.03 g/mol
LogP3.99
Rot. Bonds2

About 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide

6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 107793435) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
PubChem CID107793435
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1
InChIInChI=1S/C12H8BrCl2N3O/c13-7-2-3-8(11(15)10(7)14)18-12(19)6-1-4-9(16)17-5-6/h1-5H,(H2,16,17)(H,18,19)
InChIKeyKJTRNCMOXQHPRI-UHFFFAOYSA-N
XLogP3.99
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.03
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(5-bromo-2-iodophenyl)pyridine-3-carboxamide
CID 114261542
6-amino-N-(2-chloro-4-fluorophenyl)pyridine-3-carboxamide
CID 62155431
6-amino-N-(4-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 62151975
6-amino-N-(3-bromo-2-methylphenyl)pyridine-3-carboxamide
CID 107630962
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793511
N-(4-bromo-2,3-dichlorophenyl)-4-cyanobenzamide
CID 104578908
6-amino-N-(4-bromo-3-methylphenyl)pyridine-3-carboxamide
CID 55036943
6-amino-N-(2-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 107810194
6-amino-N-(2,4-dibromo-5-methoxyphenyl)pyridine-3-carboxamide
CID 103416721
N-(4-bromo-2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 107792772
6-amino-N-(2-fluorophenyl)pyridine-3-carboxamide
CID 62155230
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide (CID 107793435) is 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide is Nc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)cn1.
What is the InChIKey of 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is KJTRNCMOXQHPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c13-7-2-3-8(11(15)10(7)14)18-12(19)6-1-4-9(16)17-5-6/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide has a molecular weight of 361.03 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107793435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).