2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine

C15H16BrClFN3 — CID 137374525

IUPAC2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine
SMILESCc1cc(-c2cnn(CC3(F)CCCC3)c2)c(Br)nc1Cl
InChIInChI=1S/C15H16BrClFN3/c1-10-6-12(13(16)20-14(10)17)11-7-19-21(8-11)9-15(18)4-2-3-5-15/h6-8H,2-5,9H2,1H3
InChIKeySGDAEKXNSTXVQJ-UHFFFAOYSA-N
MW372.67 g/mol
LogP4.95
Rot. Bonds3

About 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine

2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine (PubChem CID 137374525) has the molecular formula C15H16BrClFN3 and a molecular weight of 372.67 g/mol. Its IUPAC name is 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine
PubChem CID137374525
Molecular FormulaC15H16BrClFN3
Molecular Weight372.67 g/mol
Exact Mass371.02
IUPAC Name2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine
SMILESCc1cc(-c2cnn(CC3(F)CCCC3)c2)c(Br)nc1Cl
InChIInChI=1S/C15H16BrClFN3/c1-10-6-12(13(16)20-14(10)17)11-7-19-21(8-11)9-15(18)4-2-3-5-15/h6-8H,2-5,9H2,1H3
InChIKeySGDAEKXNSTXVQJ-UHFFFAOYSA-N
XLogP4.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.67
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 137374012
7-[6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methyl-2-pyridinyl]-2-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137374208
2-chloro-6-methyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine
CID 129301800
6-chloro-5-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 129285789
6-chloro-5-[1-[(2,2-difluoro-1-methylcyclopropyl)methyl]pyrazol-4-yl]pyridine-2-carbonitrile
CID 137374233
4-bromo-1-[(3-fluoro-1-methylazetidin-3-yl)methyl]pyrazole
CID 170788002
1-[[1-(bromomethyl)cyclopentyl]methyl]-4-methylpyrazole
CID 65001484
2-bromo-6-chloro-3-fluoro-5-methylpyridine
CID 130114370
[4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-5-methylphenyl]methanol
CID 171906146
5-chloro-2-methyl-4-[1-(oxan-4-ylmethyl)pyrazol-4-yl]aniline
CID 171916733
1-[(1-methylcyclohexyl)methyl]pyrazol-4-amine
CID 165479848
6-[5,6-dimethyl-3-[1-[(1-methylcyclopentyl)methyl]pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-1,2-benzothiazole 1-oxide
CID 129301806

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine?
The IUPAC name of 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine (CID 137374525) is 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine.
What is the SMILES notation for 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine?
The canonical SMILES for 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine is Cc1cc(-c2cnn(CC3(F)CCCC3)c2)c(Br)nc1Cl.
What is the InChIKey of 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine?
The InChIKey is SGDAEKXNSTXVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFN3/c1-10-6-12(13(16)20-14(10)17)11-7-19-21(8-11)9-15(18)4-2-3-5-15/h6-8H,2-5,9H2,1H3.
What are the key properties of 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine?
2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine has a molecular weight of 372.67 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-3-[1-[(1-fluorocyclopentyl)methyl]pyrazol-4-yl]-5-methylpyridine is sourced from PubChem (CID 137374525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).