4-bromo-2,6-dichloro-3-nitropyridine

C5HBrCl2N2O2 — CID 118338335

IUPAC4-bromo-2,6-dichloro-3-nitropyridine
SMILESO=[N+]([O-])c1c(Br)cc(Cl)nc1Cl
InChIInChI=1S/C5HBrCl2N2O2/c6-2-1-3(7)9-5(8)4(2)10(11)12/h1H
InChIKeyOKSCYZTVDCGTTG-UHFFFAOYSA-N
MW271.88 g/mol
LogP3.06
Rot. Bonds1

About 4-bromo-2,6-dichloro-3-nitropyridine

4-bromo-2,6-dichloro-3-nitropyridine (PubChem CID 118338335) has the molecular formula C5HBrCl2N2O2 and a molecular weight of 271.88 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-3-nitropyridine.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-3-nitropyridine
PubChem CID118338335
Molecular FormulaC5HBrCl2N2O2
Molecular Weight271.88 g/mol
Exact Mass269.86
IUPAC Name4-bromo-2,6-dichloro-3-nitropyridine
SMILESO=[N+]([O-])c1c(Br)cc(Cl)nc1Cl
InChIInChI=1S/C5HBrCl2N2O2/c6-2-1-3(7)9-5(8)4(2)10(11)12/h1H
InChIKeyOKSCYZTVDCGTTG-UHFFFAOYSA-N
XLogP3.06
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.88
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

methyl 2-(2,6-dichloro-3-nitro-4-pyridinyl)acetate
CID 87452513
7-bromo-3-chloro-5-nitroisoquinolin-6-ol
CID 170968104
4-bromo-2,6-dichloropyridine-3-carbonitrile
CID 154809886
5-bromo-2-chloro-N-methyl-3-nitropyridin-4-amine
CID 118990099
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
2-bromo-6-chloro-3-methyl-4-nitropyridine
CID 119011436
2-bromo-6-chloro-4-nitropyridin-3-ol
CID 154897670
3-bromo-2-chloro-6-nitropyridine
CID 130779079
1,3-dichloro-4-nitroisoquinoline
CID 163932905
2,6-dichloro-3-(difluoromethyl)-4-nitropyridine
CID 119017807
2-chloro-4-(chloromethyl)-6-(difluoromethyl)-3-nitropyridine
CID 119013891
2,4-dichloro-6-nitropyrimidine
CID 19391209

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-3-nitropyridine?
The IUPAC name of 4-bromo-2,6-dichloro-3-nitropyridine (CID 118338335) is 4-bromo-2,6-dichloro-3-nitropyridine.
What is the SMILES notation for 4-bromo-2,6-dichloro-3-nitropyridine?
The canonical SMILES for 4-bromo-2,6-dichloro-3-nitropyridine is O=[N+]([O-])c1c(Br)cc(Cl)nc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-3-nitropyridine?
The InChIKey is OKSCYZTVDCGTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrCl2N2O2/c6-2-1-3(7)9-5(8)4(2)10(11)12/h1H.
What are the key properties of 4-bromo-2,6-dichloro-3-nitropyridine?
4-bromo-2,6-dichloro-3-nitropyridine has a molecular weight of 271.88 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-3-nitropyridine is sourced from PubChem (CID 118338335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).