(3-bromo-6-nitro-2-pyridinyl)methanol

C6H5BrN2O3 — CID 130772164

IUPAC(3-bromo-6-nitro-2-pyridinyl)methanol
SMILESO=[N+]([O-])c1ccc(Br)c(CO)n1
InChIInChI=1S/C6H5BrN2O3/c7-4-1-2-6(9(11)12)8-5(4)3-10/h1-2,10H,3H2
InChIKeyHLZSQZOVIFLSTD-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.24
Rot. Bonds2

About (3-bromo-6-nitro-2-pyridinyl)methanol

(3-bromo-6-nitro-2-pyridinyl)methanol (PubChem CID 130772164) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is (3-bromo-6-nitro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(3-bromo-6-nitro-2-pyridinyl)methanol
PubChem CID130772164
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name(3-bromo-6-nitro-2-pyridinyl)methanol
SMILESO=[N+]([O-])c1ccc(Br)c(CO)n1
InChIInChI=1S/C6H5BrN2O3/c7-4-1-2-6(9(11)12)8-5(4)3-10/h1-2,10H,3H2
InChIKeyHLZSQZOVIFLSTD-UHFFFAOYSA-N
XLogP1.24
TPSA76.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(3-bromo-6-nitro-2-pyridinyl)acetonitrile
CID 131216692
3-bromo-2-chloro-6-nitropyridine
CID 130779079
3-bromo-6-nitropyridine-2-carboxylic acid
CID 130773818
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
[2-(difluoromethyl)-6-nitro-3-pyridinyl]methanol
CID 118820582
(2-bromo-6-nitro-4-pyridinyl)methanol
CID 119012280
2-bromo-6-nitropyridine-3-carboxylic acid
CID 130822833
2-bromo-6-nitropyridine-3-carbonitrile
CID 118990740
methyl 3-chloro-6-nitropyridine-2-carboxylate
CID 130837719
2-(chloromethyl)-6-nitro-3-(trifluoromethyl)pyridine
CID 131500569
(4-bromo-7-nitroisoquinolin-3-yl)methanol
CID 152705347
2-chloro-3-fluoro-6-nitropyridine
CID 119018246

Frequently Asked Questions

What is the IUPAC name of (3-bromo-6-nitro-2-pyridinyl)methanol?
The IUPAC name of (3-bromo-6-nitro-2-pyridinyl)methanol (CID 130772164) is (3-bromo-6-nitro-2-pyridinyl)methanol.
What is the SMILES notation for (3-bromo-6-nitro-2-pyridinyl)methanol?
The canonical SMILES for (3-bromo-6-nitro-2-pyridinyl)methanol is O=[N+]([O-])c1ccc(Br)c(CO)n1.
What is the InChIKey of (3-bromo-6-nitro-2-pyridinyl)methanol?
The InChIKey is HLZSQZOVIFLSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c7-4-1-2-6(9(11)12)8-5(4)3-10/h1-2,10H,3H2.
What are the key properties of (3-bromo-6-nitro-2-pyridinyl)methanol?
(3-bromo-6-nitro-2-pyridinyl)methanol has a molecular weight of 233.02 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-6-nitro-2-pyridinyl)methanol is sourced from PubChem (CID 130772164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).