3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine

C9H6BrClFN3 — CID 165478004

IUPAC3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine
SMILESCn1nc(Br)cc1-c1cc(Cl)cnc1F
InChIInChI=1S/C9H6BrClFN3/c1-15-7(3-8(10)14-15)6-2-5(11)4-13-9(6)12/h2-4H,1H3
InChIKeyHHZGENYKTKOCBN-UHFFFAOYSA-N
MW290.52 g/mol
LogP3.04
Rot. Bonds1

About 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine

3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine (PubChem CID 165478004) has the molecular formula C9H6BrClFN3 and a molecular weight of 290.52 g/mol. Its IUPAC name is 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine.

Molecular Properties

Compound Name3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine
PubChem CID165478004
Molecular FormulaC9H6BrClFN3
Molecular Weight290.52 g/mol
Exact Mass288.94
IUPAC Name3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine
SMILESCn1nc(Br)cc1-c1cc(Cl)cnc1F
InChIInChI=1S/C9H6BrClFN3/c1-15-7(3-8(10)14-15)6-2-5(11)4-13-9(6)12/h2-4H,1H3
InChIKeyHHZGENYKTKOCBN-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.52
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
6-Bromo-5-methylpyrazolo(1,5-a)pyridine
CID 58486738
4-Bromo-5-methylpyrazolo[1,5-a]pyridine
CID 58487398
4-(5-chloro-3-phenyl-1H-pyrazol-1-yl)pyridine
CID 66023036
3-Bromo-5-chloropyrazolo[1,5-a]pyridine
CID 83679039
3-Bromo-5-methylpyrazolo[1,5-a]pyridine
CID 83680672
6-chloro-1,3-dimethyl-1H-pyrazolo(4,3-c)pyridine
CID 83828454
3-Bromo-6-chloropyrazolo[1,5-a]pyridine
CID 122163834
2-[2-[2-(5-Chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 72140969
3-Bromo-4-methylpyrazolo(1,5-a)pyridine
CID 129981362
3-Bromo-5-chloro-6-fluoropyrazolo(1,5-a)pyridine
CID 130066078

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine?
The IUPAC name of 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine (CID 165478004) is 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine.
What is the SMILES notation for 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine?
The canonical SMILES for 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine is Cn1nc(Br)cc1-c1cc(Cl)cnc1F.
What is the InChIKey of 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine?
The InChIKey is HHZGENYKTKOCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClFN3/c1-15-7(3-8(10)14-15)6-2-5(11)4-13-9(6)12/h2-4H,1H3.
What are the key properties of 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine?
3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine has a molecular weight of 290.52 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-1-methylpyrazol-5-yl)-5-chloro-2-fluoropyridine is sourced from PubChem (CID 165478004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).