2-bromo-2-chloro-5-nitro-1H-pyridine

C5H4BrClN2O2 — CID 70456079

IUPAC2-bromo-2-chloro-5-nitro-1H-pyridine
SMILESO=[N+]([O-])C1=CNC(Cl)(Br)C=C1
InChIInChI=1S/C5H4BrClN2O2/c6-5(7)2-1-4(3-8-5)9(10)11/h1-3,8H
InChIKeyWFHQJBQMNKXPMT-UHFFFAOYSA-N
MW239.46 g/mol
LogP1.55
Rot. Bonds1

About 2-bromo-2-chloro-5-nitro-1H-pyridine

2-bromo-2-chloro-5-nitro-1H-pyridine (PubChem CID 70456079) has the molecular formula C5H4BrClN2O2 and a molecular weight of 239.46 g/mol. Its IUPAC name is 2-bromo-2-chloro-5-nitro-1H-pyridine.

Molecular Properties

Compound Name2-bromo-2-chloro-5-nitro-1H-pyridine
PubChem CID70456079
Molecular FormulaC5H4BrClN2O2
Molecular Weight239.46 g/mol
Exact Mass237.91
IUPAC Name2-bromo-2-chloro-5-nitro-1H-pyridine
SMILESO=[N+]([O-])C1=CNC(Cl)(Br)C=C1
InChIInChI=1S/C5H4BrClN2O2/c6-5(7)2-1-4(3-8-5)9(10)11/h1-3,8H
InChIKeyWFHQJBQMNKXPMT-UHFFFAOYSA-N
XLogP1.55
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.46
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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

[3-bromo-2-(bromomethyl)-5-nitro-1H-pyridin-2-yl]methanol
CID 174937044
5-chloro-2-nitro-1H-pyridine-2-carbonitrile
CID 69184083
7-(bromomethyl)-7-methyl-3-nitrocyclohepta-1,3,5-triene
CID 142074135
1-amino-4-nitrocyclohexa-2,4-dien-1-ol
CID 22002613
5-nitro-2-propan-2-yl-1H-pyridine-2,3-diamine
CID 162519842
1-bromo-6-methoxy-5-nitrocyclohexa-2,4-dien-1-ol
CID 170316778
2-chloro-4-methyl-5-nitro-1,4-dihydropyrimidine
CID 149381350
6-chloro-4-nitro-1,2-dihydropyridine
CID 143640173
2-chloro-4-methoxy-2-methyl-5-nitro-1H-pyridine
CID 155413421
N-(1,4-dinitrocyclohexa-2,4-dien-1-yl)nitrous amide
CID 141463593
2,5-dichloro-5-methyl-6-nitrocyclohexa-1,3-diene
CID 150962594
5,6-dimethyl-1,5-dinitrocyclohexa-1,3-diene
CID 88503459

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-chloro-5-nitro-1H-pyridine?
The IUPAC name of 2-bromo-2-chloro-5-nitro-1H-pyridine (CID 70456079) is 2-bromo-2-chloro-5-nitro-1H-pyridine.
What is the SMILES notation for 2-bromo-2-chloro-5-nitro-1H-pyridine?
The canonical SMILES for 2-bromo-2-chloro-5-nitro-1H-pyridine is O=[N+]([O-])C1=CNC(Cl)(Br)C=C1.
What is the InChIKey of 2-bromo-2-chloro-5-nitro-1H-pyridine?
The InChIKey is WFHQJBQMNKXPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrClN2O2/c6-5(7)2-1-4(3-8-5)9(10)11/h1-3,8H.
What are the key properties of 2-bromo-2-chloro-5-nitro-1H-pyridine?
2-bromo-2-chloro-5-nitro-1H-pyridine has a molecular weight of 239.46 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-chloro-5-nitro-1H-pyridine is sourced from PubChem (CID 70456079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).