5-bromo-2-chloropyridine-3-carboximidate

C6H3BrClN2O- — CID 163802001

IUPAC5-bromo-2-chloropyridine-3-carboximidate
SMILES[H]/N=C(\[O-])c1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)/p-1
InChIKeyNFUOTGWWIKJNQL-UHFFFAOYSA-M
MW234.46 g/mol
LogP1.18
Rot. Bonds1

About 5-bromo-2-chloropyridine-3-carboximidate

5-bromo-2-chloropyridine-3-carboximidate (PubChem CID 163802001) has the molecular formula C6H3BrClN2O- and a molecular weight of 234.46 g/mol. Its IUPAC name is 5-bromo-2-chloropyridine-3-carboximidate.

Molecular Properties

Compound Name5-bromo-2-chloropyridine-3-carboximidate
PubChem CID163802001
Molecular FormulaC6H3BrClN2O-
Molecular Weight234.46 g/mol
Exact Mass232.91
IUPAC Name5-bromo-2-chloropyridine-3-carboximidate
SMILES[H]/N=C(\[O-])c1cc(Br)cnc1Cl
InChIInChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)/p-1
InChIKeyNFUOTGWWIKJNQL-UHFFFAOYSA-M
XLogP1.18
TPSA59.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloropyridine-3-carboxamide
CID 12629794
(5-bromo-2-chloro-3-pyridinyl)-cyclopropylmethanone
CID 119054666
5-bromo-2-chloropyridine-3-carboxamide;5-bromo-2-chloropyridine-3-carboxylic acid
CID 167685517
5-bromo-2-chloro-N-methoxypyridine-3-carboxamide
CID 103636119
5-bromo-2-chloro-3-(chloromethyl)pyridine
CID 42544310
S-(5-bromo-2-chloro-3-pyridinyl)thiohydroxylamine
CID 146211561
2-(5-bromo-2-chloro-3-pyridinyl)acetamide
CID 131075466
N-(5-bromo-2-chloro-3-pyridinyl)hydroxylamine
CID 88929261
5-bromo-2-chloro-N-phenylpyridine-3-carboxamide
CID 59781136
5-bromo-2-chloro-N-[2-(dimethylamino)ethyl]-N-methylpyridine-3-carboxamide
CID 63694504
(5-bromo-2-chloro-3-pyridinyl)-(2,3-dihydro-1,4-benzothiazin-4-yl)methanone
CID 62001205
5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloropyridine-3-carboxamide
CID 62000856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloropyridine-3-carboximidate?
The IUPAC name of 5-bromo-2-chloropyridine-3-carboximidate (CID 163802001) is 5-bromo-2-chloropyridine-3-carboximidate.
What is the SMILES notation for 5-bromo-2-chloropyridine-3-carboximidate?
The canonical SMILES for 5-bromo-2-chloropyridine-3-carboximidate is [H]/N=C(\[O-])c1cc(Br)cnc1Cl.
What is the InChIKey of 5-bromo-2-chloropyridine-3-carboximidate?
The InChIKey is NFUOTGWWIKJNQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4BrClN2O/c7-3-1-4(6(9)11)5(8)10-2-3/h1-2H,(H2,9,11)/p-1.
What are the key properties of 5-bromo-2-chloropyridine-3-carboximidate?
5-bromo-2-chloropyridine-3-carboximidate has a molecular weight of 234.46 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloropyridine-3-carboximidate is sourced from PubChem (CID 163802001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).