(2-bromo-6-nitro-4-pyridinyl)methanol

C6H5BrN2O3 — CID 119012280

IUPAC(2-bromo-6-nitro-4-pyridinyl)methanol
SMILESO=[N+]([O-])c1cc(CO)cc(Br)n1
InChIInChI=1S/C6H5BrN2O3/c7-5-1-4(3-10)2-6(8-5)9(11)12/h1-2,10H,3H2
InChIKeyNGYGMOYJVXICRP-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.24
Rot. Bonds2

About (2-bromo-6-nitro-4-pyridinyl)methanol

(2-bromo-6-nitro-4-pyridinyl)methanol (PubChem CID 119012280) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is (2-bromo-6-nitro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-bromo-6-nitro-4-pyridinyl)methanol
PubChem CID119012280
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name(2-bromo-6-nitro-4-pyridinyl)methanol
SMILESO=[N+]([O-])c1cc(CO)cc(Br)n1
InChIInChI=1S/C6H5BrN2O3/c7-5-1-4(3-10)2-6(8-5)9(11)12/h1-2,10H,3H2
InChIKeyNGYGMOYJVXICRP-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-fluoro-6-nitropyridine
CID 119020612
[3-(hydroxymethyl)-5-nitrophenyl]methanol
CID 603032
[3-bromo-4-(difluoromethyl)-6-nitro-2-pyridinyl]methanol
CID 130069873
2-bromo-4-(difluoromethoxy)-6-nitropyridine
CID 119003245
(3-bromo-6-nitro-2-pyridinyl)methanol
CID 130772164
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859
[6-bromo-2-(difluoromethyl)-4-nitro-3-pyridinyl]methanol
CID 130069861
[6-bromo-3-(difluoromethyl)-2-nitro-4-pyridinyl]methanol
CID 130069860
2,6-dibromo-4-nitro-1,3-azaborinine
CID 162468437
5-(hydroxymethyl)-3-nitrobenzene-1,2-diol
CID 18990374
[3-(aminomethyl)-5-nitrophenyl]methanol
CID 143211941
(3-methyl-5-nitrophenyl)methanol
CID 14033015

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-nitro-4-pyridinyl)methanol?
The IUPAC name of (2-bromo-6-nitro-4-pyridinyl)methanol (CID 119012280) is (2-bromo-6-nitro-4-pyridinyl)methanol.
What is the SMILES notation for (2-bromo-6-nitro-4-pyridinyl)methanol?
The canonical SMILES for (2-bromo-6-nitro-4-pyridinyl)methanol is O=[N+]([O-])c1cc(CO)cc(Br)n1.
What is the InChIKey of (2-bromo-6-nitro-4-pyridinyl)methanol?
The InChIKey is NGYGMOYJVXICRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c7-5-1-4(3-10)2-6(8-5)9(11)12/h1-2,10H,3H2.
What are the key properties of (2-bromo-6-nitro-4-pyridinyl)methanol?
(2-bromo-6-nitro-4-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 (2-bromo-6-nitro-4-pyridinyl)methanol is sourced from PubChem (CID 119012280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).