[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid

C6H5BrClN3O2 — CID 174663877

IUPAC[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
SMILESO=C(O)NNc1cc(Br)cnc1Cl
InChIInChI=1S/C6H5BrClN3O2/c7-3-1-4(5(8)9-2-3)10-11-6(12)13/h1-2,10-11H,(H,12,13)
InChIKeyXHYAVOMFONJQJG-UHFFFAOYSA-N
MW266.48 g/mol
LogP2.09
Rot. Bonds2

About [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid

[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid (PubChem CID 174663877) has the molecular formula C6H5BrClN3O2 and a molecular weight of 266.48 g/mol. Its IUPAC name is [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid.

Molecular Properties

Compound Name[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
PubChem CID174663877
Molecular FormulaC6H5BrClN3O2
Molecular Weight266.48 g/mol
Exact Mass264.93
IUPAC Name[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid
SMILESO=C(O)NNc1cc(Br)cnc1Cl
InChIInChI=1S/C6H5BrClN3O2/c7-3-1-4(5(8)9-2-3)10-11-6(12)13/h1-2,10-11H,(H,12,13)
InChIKeyXHYAVOMFONJQJG-UHFFFAOYSA-N
XLogP2.09
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
N-(5-bromo-2-chloro-3-pyridinyl)-2,2-dimethylpropanamide
CID 102979113
benzyl N-(5-bromo-2-chloro-3-pyridinyl)carbamate
CID 130581136
N-(5-bromo-2-chloro-3-pyridinyl)pyrimidine-5-carboxamide
CID 102979160
N-(5-bromo-2-chloro-3-pyridinyl)-3-methylbut-2-enamide
CID 102979388
N-(5-bromo-2-chloro-3-pyridinyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 114052084
N-(5-bromo-2-chloro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
CID 102979401
N-(5-bromo-2-chloro-3-pyridinyl)-4-methyl-1,3-oxazole-5-carboxamide
CID 102979254
3-[(5-bromo-2-chloro-3-pyridinyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114051902
N-(5-bromo-2-chloro-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 102979134
N-(5-bromo-2-chloro-3-pyridinyl)-4,4,4-trifluorobutanamide
CID 102979349
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid?
The IUPAC name of [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid (CID 174663877) is [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid.
What is the SMILES notation for [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid?
The canonical SMILES for [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid is O=C(O)NNc1cc(Br)cnc1Cl.
What is the InChIKey of [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid?
The InChIKey is XHYAVOMFONJQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClN3O2/c7-3-1-4(5(8)9-2-3)10-11-6(12)13/h1-2,10-11H,(H,12,13).
What are the key properties of [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid?
[(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid has a molecular weight of 266.48 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-2-chloro-3-pyridinyl)amino]carbamic acid is sourced from PubChem (CID 174663877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).