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

C12H8BrCl2N3O — CID 107793511

IUPAC4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C12H8BrCl2N3O/c13-7-1-2-9(11(15)10(7)14)18-12(19)6-5-17-4-3-8(6)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyOVUYROBNRXCNJP-UHFFFAOYSA-N
MW361.03 g/mol
LogP3.99
Rot. Bonds2

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

4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide (PubChem CID 107793511) has the molecular formula C12H8BrCl2N3O and a molecular weight of 361.03 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
PubChem CID107793511
Molecular FormulaC12H8BrCl2N3O
Molecular Weight361.03 g/mol
Exact Mass358.92
IUPAC Name4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
SMILESNc1ccncc1C(=O)Nc1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C12H8BrCl2N3O/c13-7-1-2-9(11(15)10(7)14)18-12(19)6-5-17-4-3-8(6)16/h1-5H,(H2,16,17)(H,18,19)
InChIKeyOVUYROBNRXCNJP-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

5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
4-amino-N-(4-bromo-2,5-difluorophenyl)pyridine-3-carboxamide
CID 107616547
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793435
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-sulfonamide
CID 107793247
N-(2-bromo-5-chlorophenyl)-4-chloropyridine-3-carboxamide
CID 81263935
4-amino-N-(3-bromo-2-pyridinyl)pyridine-3-carboxamide
CID 81245467
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092
4-amino-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-carboxamide
CID 107578409
3-bromo-N-(4-bromo-2,3-dichlorophenyl)-2-fluorobenzamide
CID 107953841
4-amino-N-(2-cyanophenyl)pyridine-3-carboxamide
CID 81235852

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide (CID 107793511) is 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide is Nc1ccncc1C(=O)Nc1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
The InChIKey is OVUYROBNRXCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2N3O/c13-7-1-2-9(11(15)10(7)14)18-12(19)6-5-17-4-3-8(6)16/h1-5H,(H2,16,17)(H,18,19).
What are the key properties of 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide?
4-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 4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 107793511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).