(4-bromo-5-nitro-3-pyridinyl)methanol

C6H5BrN2O3 — CID 131191096

IUPAC(4-bromo-5-nitro-3-pyridinyl)methanol
SMILESO=[N+]([O-])c1cncc(CO)c1Br
InChIInChI=1S/C6H5BrN2O3/c7-6-4(3-10)1-8-2-5(6)9(11)12/h1-2,10H,3H2
InChIKeyMYCZVUMVQDWFEG-UHFFFAOYSA-N
MW233.02 g/mol
LogP1.24
Rot. Bonds2

About (4-bromo-5-nitro-3-pyridinyl)methanol

(4-bromo-5-nitro-3-pyridinyl)methanol (PubChem CID 131191096) has the molecular formula C6H5BrN2O3 and a molecular weight of 233.02 g/mol. Its IUPAC name is (4-bromo-5-nitro-3-pyridinyl)methanol.

Molecular Properties

Compound Name(4-bromo-5-nitro-3-pyridinyl)methanol
PubChem CID131191096
Molecular FormulaC6H5BrN2O3
Molecular Weight233.02 g/mol
Exact Mass231.95
IUPAC Name(4-bromo-5-nitro-3-pyridinyl)methanol
SMILESO=[N+]([O-])c1cncc(CO)c1Br
InChIInChI=1S/C6H5BrN2O3/c7-6-4(3-10)1-8-2-5(6)9(11)12/h1-2,10H,3H2
InChIKeyMYCZVUMVQDWFEG-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

4-bromo-5-nitropyridin-3-amine
CID 130705399
[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
2-[(3-bromo-5-nitro-4-pyridinyl)sulfanyl]ethanol
CID 103519510
3-(2-bromoethyl)-5-nitropyridin-4-amine
CID 91057411
(5-nitropyrimidin-4-yl)methanol
CID 130116133
[4-[(3-bromo-5-nitro-4-pyridinyl)sulfanyl]phenyl]methanol
CID 103519517
(2,4,5-trinitrophenyl)methanol
CID 53422846
3-bromo-5-nitropyridine-4-carbaldehyde
CID 130966460
[2-bromo-4-nitro-3-(trifluoromethyl)phenyl]methanol
CID 171002761
3-(4-amino-5-nitro-3-pyridinyl)prop-2-yn-1-ol
CID 169485362
(2-bromo-5-methyl-4-nitrophenyl)methanol
CID 119024875
(4-bromo-5-chloro-2-nitrophenyl)methanol
CID 131289970

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-nitro-3-pyridinyl)methanol?
The IUPAC name of (4-bromo-5-nitro-3-pyridinyl)methanol (CID 131191096) is (4-bromo-5-nitro-3-pyridinyl)methanol.
What is the SMILES notation for (4-bromo-5-nitro-3-pyridinyl)methanol?
The canonical SMILES for (4-bromo-5-nitro-3-pyridinyl)methanol is O=[N+]([O-])c1cncc(CO)c1Br.
What is the InChIKey of (4-bromo-5-nitro-3-pyridinyl)methanol?
The InChIKey is MYCZVUMVQDWFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN2O3/c7-6-4(3-10)1-8-2-5(6)9(11)12/h1-2,10H,3H2.
What are the key properties of (4-bromo-5-nitro-3-pyridinyl)methanol?
(4-bromo-5-nitro-3-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 (4-bromo-5-nitro-3-pyridinyl)methanol is sourced from PubChem (CID 131191096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).