[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol

C7H8Br2N2O3 — CID 174937044

IUPAC[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol
SMILESO=[N+]([O-])C1=CNC(CO)(CBr)C(Br)=C1
InChIInChI=1S/C7H8Br2N2O3/c8-3-7(4-12)6(9)1-5(2-10-7)11(13)14/h1-2,10,12H,3-4H2
InChIKeyQXDJUTAHMGYIAV-UHFFFAOYSA-N
MW327.96 g/mol
LogP1.11
Rot. Bonds3

About [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol

[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol (PubChem CID 174937044) has the molecular formula C7H8Br2N2O3 and a molecular weight of 327.96 g/mol. Its IUPAC name is [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol
PubChem CID174937044
Molecular FormulaC7H8Br2N2O3
Molecular Weight327.96 g/mol
Exact Mass325.89
IUPAC Name[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol
SMILESO=[N+]([O-])C1=CNC(CO)(CBr)C(Br)=C1
InChIInChI=1S/C7H8Br2N2O3/c8-3-7(4-12)6(9)1-5(2-10-7)11(13)14/h1-2,10,12H,3-4H2
InChIKeyQXDJUTAHMGYIAV-UHFFFAOYSA-N
XLogP1.11
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.96
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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-2-chloro-5-nitro-1H-pyridine
CID 70456079
5-nitro-2-propan-2-yl-1H-pyridine-2,3-diamine
CID 162519842
7-(bromomethyl)-7-methyl-3-nitrocyclohepta-1,3,5-triene
CID 142074135
2-bromo-3,5-dinitrobenzoic acid;ethane
CID 143639800
4-bromo-3,5-dinitrobenzaldehyde
CID 91286899
(5-bromo-3-methyl-2-nitro-1H-imidazol-2-yl)methanol
CID 69175003
6-[(1R)-1-amino-2-hydroxyethyl]-2,3-dibromo-4-nitrophenol
CID 66516242
2-(4-bromo-3-fluoro-5-nitrophenyl)acetic acid
CID 118827340
(5,7-dibromo-4,6-dinitro-1H-benzimidazol-2-yl)methanol
CID 142772901
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
CID 142235254
(4-bromo-5-nitro-3-pyridinyl)methanol
CID 131191096
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398

Frequently Asked Questions

What is the IUPAC name of [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol?
The IUPAC name of [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol (CID 174937044) is [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol.
What is the SMILES notation for [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol?
The canonical SMILES for [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol is O=[N+]([O-])C1=CNC(CO)(CBr)C(Br)=C1.
What is the InChIKey of [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol?
The InChIKey is QXDJUTAHMGYIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2N2O3/c8-3-7(4-12)6(9)1-5(2-10-7)11(13)14/h1-2,10,12H,3-4H2.
What are the key properties of [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol?
[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol has a molecular weight of 327.96 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol is sourced from PubChem (CID 174937044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).