4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine

C14H20BrNO — CID 58369527

IUPAC4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine
SMILESCOc1nc(C)c(CC2CC2)c(Br)c1C(C)C
InChIInChI=1S/C14H20BrNO/c1-8(2)12-13(15)11(7-10-5-6-10)9(3)16-14(12)17-4/h8,10H,5-7H2,1-4H3
InChIKeyRVMCPUHCTQLNRD-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.24
Rot. Bonds4

About 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine

4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine (PubChem CID 58369527) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine.

Molecular Properties

Compound Name4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine
PubChem CID58369527
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine
SMILESCOc1nc(C)c(CC2CC2)c(Br)c1C(C)C
InChIInChI=1S/C14H20BrNO/c1-8(2)12-13(15)11(7-10-5-6-10)9(3)16-14(12)17-4/h8,10H,5-7H2,1-4H3
InChIKeyRVMCPUHCTQLNRD-UHFFFAOYSA-N
XLogP4.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine?
The IUPAC name of 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine (CID 58369527) is 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine.
What is the SMILES notation for 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine?
The canonical SMILES for 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine is COc1nc(C)c(CC2CC2)c(Br)c1C(C)C.
What is the InChIKey of 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine?
The InChIKey is RVMCPUHCTQLNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-8(2)12-13(15)11(7-10-5-6-10)9(3)16-14(12)17-4/h8,10H,5-7H2,1-4H3.
What are the key properties of 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine?
4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine has a molecular weight of 298.22 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine is sourced from PubChem (CID 58369527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).