2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine

C14H17BrClN3O — CID 79168716

IUPAC2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
SMILESCCn1nc(C)c(Cl)c1COc1ccc(C)nc1CBr
InChIInChI=1S/C14H17BrClN3O/c1-4-19-12(14(16)10(3)18-19)8-20-13-6-5-9(2)17-11(13)7-15/h5-6H,4,7-8H2,1-3H3
InChIKeyMOWKDTNIJQOQGF-UHFFFAOYSA-N
MW358.67 g/mol
LogP4.04
Rot. Bonds5

About 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine

2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine (PubChem CID 79168716) has the molecular formula C14H17BrClN3O and a molecular weight of 358.67 g/mol. Its IUPAC name is 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
PubChem CID79168716
Molecular FormulaC14H17BrClN3O
Molecular Weight358.67 g/mol
Exact Mass357.02
IUPAC Name2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine
SMILESCCn1nc(C)c(Cl)c1COc1ccc(C)nc1CBr
InChIInChI=1S/C14H17BrClN3O/c1-4-19-12(14(16)10(3)18-19)8-20-13-6-5-9(2)17-11(13)7-15/h5-6H,4,7-8H2,1-3H3
InChIKeyMOWKDTNIJQOQGF-UHFFFAOYSA-N
XLogP4.04
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.67
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-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

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methoxy]-2-(chloromethyl)-6-methylpyridine
CID 79163859
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991140
[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79156679
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
1-[3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methoxy]-6-methyl-2-pyridinyl]-N-methylmethanamine
CID 79151277
(1S)-1-[5-chloro-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanamine
CID 79025743
4-chloro-1-ethyl-3-methyl-5-[(2-methyl-5-propan-2-ylphenoxy)methyl]pyrazole
CID 80999468
(1S)-1-[4-bromo-2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 102949064
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
5-(3-bromo-2,2-dimethylpropyl)-4-chloro-1-ethyl-3-methylpyrazole
CID 66048622
2-(bromomethyl)-3-[(2-chloro-6-fluorophenyl)methoxy]-6-methylpyridine
CID 79168717
4-chloro-5-[(2,5-dimethylphenoxy)methyl]-1,3-diethylpyrazole
CID 81005789

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine (CID 79168716) is 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine is CCn1nc(C)c(Cl)c1COc1ccc(C)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine?
The InChIKey is MOWKDTNIJQOQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3O/c1-4-19-12(14(16)10(3)18-19)8-20-13-6-5-9(2)17-11(13)7-15/h5-6H,4,7-8H2,1-3H3.
What are the key properties of 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine?
2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine has a molecular weight of 358.67 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-6-methylpyridine is sourced from PubChem (CID 79168716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).