2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine

C8H4BrClN4O2 — CID 156563778

IUPAC2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(-n2nccc2Br)c(Cl)c1
InChIInChI=1S/C8H4BrClN4O2/c9-7-1-2-12-13(7)8-6(10)3-5(4-11-8)14(15)16/h1-4H
InChIKeyYFQGZPZXYZDTBP-UHFFFAOYSA-N
MW303.50 g/mol
LogP2.59
Rot. Bonds2

About 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine

2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine (PubChem CID 156563778) has the molecular formula C8H4BrClN4O2 and a molecular weight of 303.50 g/mol. Its IUPAC name is 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine.

Molecular Properties

Compound Name2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine
PubChem CID156563778
Molecular FormulaC8H4BrClN4O2
Molecular Weight303.50 g/mol
Exact Mass301.92
IUPAC Name2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine
SMILESO=[N+]([O-])c1cnc(-n2nccc2Br)c(Cl)c1
InChIInChI=1S/C8H4BrClN4O2/c9-7-1-2-12-13(7)8-6(10)3-5(4-11-8)14(15)16/h1-4H
InChIKeyYFQGZPZXYZDTBP-UHFFFAOYSA-N
XLogP2.59
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(3-chloro-5-nitro-2-pyridinyl)imidazole-2-carbonitrile
CID 114046960
3-chloro-2-(4-methyltriazol-1-yl)-5-nitropyridine
CID 134610318
3-chloro-2-(4-ethenylpiperidin-1-yl)-5-nitropyridine
CID 133309524
3-chloro-5-nitropyridine-2-carbaldehyde
CID 19010906
3-chloro-2-[2-(furan-2-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133304580
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
9-(3-chloro-5-nitro-2-pyridinyl)-3,3-difluoro-1-oxa-9-azaspiro[5.5]undecane
CID 156565872
3-bromo-5-nitro-2-(triazol-1-yl)pyridine
CID 133054234
3-bromo-5-nitropyridine-2-sulfonamide
CID 79524071
1-(3-chloro-5-nitro-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663840
4-(3-chloro-5-nitro-2-pyridinyl)-2-methylthiomorpholine
CID 56806367
2-(5-bromo-2-methylphenoxy)-3-chloro-5-nitropyridine
CID 114046469

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine?
The IUPAC name of 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine (CID 156563778) is 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine.
What is the SMILES notation for 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine?
The canonical SMILES for 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine is O=[N+]([O-])c1cnc(-n2nccc2Br)c(Cl)c1.
What is the InChIKey of 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine?
The InChIKey is YFQGZPZXYZDTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN4O2/c9-7-1-2-12-13(7)8-6(10)3-5(4-11-8)14(15)16/h1-4H.
What are the key properties of 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine?
2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine has a molecular weight of 303.50 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromopyrazol-1-yl)-3-chloro-5-nitropyridine is sourced from PubChem (CID 156563778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).