[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride

C14H11BrClN3O3 — CID 67123064

IUPAC[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1
InChIInChI=1S/C14H10BrN3O3.ClH/c15-10-3-1-9(2-4-10)14-12(8-19)17-7-11(18(20)21)5-6-13(17)16-14;/h1-7,19H,8H2;1H
InChIKeyOEVVJNBRPDKFEW-UHFFFAOYSA-N
MW384.62 g/mol
LogP3.59
Rot. Bonds3

About [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride

[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride (PubChem CID 67123064) has the molecular formula C14H11BrClN3O3 and a molecular weight of 384.62 g/mol. Its IUPAC name is [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
PubChem CID67123064
Molecular FormulaC14H11BrClN3O3
Molecular Weight384.62 g/mol
Exact Mass382.97
IUPAC Name[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1
InChIInChI=1S/C14H10BrN3O3.ClH/c15-10-3-1-9(2-4-10)14-12(8-19)17-7-11(18(20)21)5-6-13(17)16-14;/h1-7,19H,8H2;1H
InChIKeyOEVVJNBRPDKFEW-UHFFFAOYSA-N
XLogP3.59
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.62
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 46220572
3-(chloromethyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine;[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride
CID 162000002
3-[6-bromo-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 2757080
2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 58043076
3-[6-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878850
6-chloro-2-(4-nitrophenyl)-3-(piperazine-1,4-diium-1-ylmethyl)imidazo[1,2-a]pyridine
CID 7023754
[6-chloro-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 39132848
[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
CID 2757136
2-[2-(3-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 93203563
[2-(4-bromophenyl)-6,8-dichloroimidazo[1,2-a]pyridin-3-yl]methanol
CID 46224246
6-iodo-3-methyl-2-(4-nitrophenyl)imidazo[1,2-a]pyridine
CID 67546543
2-[6-bromo-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82030121

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
The IUPAC name of [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride (CID 67123064) is [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride.
What is the SMILES notation for [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
The canonical SMILES for [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride is Cl.O=[N+]([O-])c1ccc2nc(-c3ccc(Br)cc3)c(CO)n2c1.
What is the InChIKey of [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
The InChIKey is OEVVJNBRPDKFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O3.ClH/c15-10-3-1-9(2-4-10)14-12(8-19)17-7-11(18(20)21)5-6-13(17)16-14;/h1-7,19H,8H2;1H.
What are the key properties of [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride?
[2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride has a molecular weight of 384.62 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-6-nitroimidazo[1,2-a]pyridin-3-yl]methanol;hydrochloride is sourced from PubChem (CID 67123064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).