5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine

C7H3BrClN5O2 — CID 103583502

IUPAC5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ncn(-c2ncc(Br)cc2Cl)n1
InChIInChI=1S/C7H3BrClN5O2/c8-4-1-5(9)6(10-2-4)13-3-11-7(12-13)14(15)16/h1-3H
InChIKeyRAQOPBMDKKTRNJ-UHFFFAOYSA-N
MW304.49 g/mol
LogP1.99
Rot. Bonds2

About 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine

5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine (PubChem CID 103583502) has the molecular formula C7H3BrClN5O2 and a molecular weight of 304.49 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine
PubChem CID103583502
Molecular FormulaC7H3BrClN5O2
Molecular Weight304.49 g/mol
Exact Mass302.92
IUPAC Name5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine
SMILESO=[N+]([O-])c1ncn(-c2ncc(Br)cc2Cl)n1
InChIInChI=1S/C7H3BrClN5O2/c8-4-1-5(9)6(10-2-4)13-3-11-7(12-13)14(15)16/h1-3H
InChIKeyRAQOPBMDKKTRNJ-UHFFFAOYSA-N
XLogP1.99
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-bromo-3-chloro-2-nitropyridine
CID 131027901
4-chloro-6-(3-nitro-1,2,4-triazol-1-yl)pyrimidine
CID 129319403
1-(5-chloro-1H-1,2,4-triazol-3-yl)-3-nitro-1,2,4-triazole
CID 3322778
1-(5-bromo-3-chloro-2-pyridinyl)pyrazole-4-carboxylic acid
CID 103583920
5-bromo-3-chloro-2-(2,6-dichloro-4-nitrophenoxy)pyridine
CID 103583685
5-bromo-1-(5-bromo-3-chloro-2-pyridinyl)-1,2,4-triazol-3-amine
CID 103583004
5-bromo-3-nitro-2-(4-nitropyrazol-1-yl)pyridine
CID 61373410
5-bromo-3-nitro-2-(triazol-1-yl)pyridine
CID 133061285
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
[1-(5-bromo-3-chloro-2-pyridinyl)azetidin-3-yl]methanamine
CID 103584239
2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine
CID 156563778
5-bromo-2-(4-bromo-2-nitrophenoxy)-3-chloropyridine
CID 103583721

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine?
The IUPAC name of 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine (CID 103583502) is 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine.
What is the SMILES notation for 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine?
The canonical SMILES for 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine is O=[N+]([O-])c1ncn(-c2ncc(Br)cc2Cl)n1.
What is the InChIKey of 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine?
The InChIKey is RAQOPBMDKKTRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN5O2/c8-4-1-5(9)6(10-2-4)13-3-11-7(12-13)14(15)16/h1-3H.
What are the key properties of 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine?
5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine has a molecular weight of 304.49 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(3-nitro-1,2,4-triazol-1-yl)pyridine is sourced from PubChem (CID 103583502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).