2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine

C15H16BrNO — CID 90979990

IUPAC2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
SMILESCCc1c(OCc2ccccc2)cnc(Br)c1C
InChIInChI=1S/C15H16BrNO/c1-3-13-11(2)15(16)17-9-14(13)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyTVDWMKHDFLNVCB-UHFFFAOYSA-N
MW306.20 g/mol
LogP4.29
Rot. Bonds4

About 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine

2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine (PubChem CID 90979990) has the molecular formula C15H16BrNO and a molecular weight of 306.20 g/mol. Its IUPAC name is 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine.

Molecular Properties

Compound Name2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
PubChem CID90979990
Molecular FormulaC15H16BrNO
Molecular Weight306.20 g/mol
Exact Mass305.04
IUPAC Name2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine
SMILESCCc1c(OCc2ccccc2)cnc(Br)c1C
InChIInChI=1S/C15H16BrNO/c1-3-13-11(2)15(16)17-9-14(13)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3
InChIKeyTVDWMKHDFLNVCB-UHFFFAOYSA-N
XLogP4.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.20
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-methyl-5-phenylmethoxypyridine
CID 166661810
2-bromo-5-fluoro-3-phenylmethoxypyridine
CID 151293566
2-bromo-3-methyl-5-phenylmethoxypyridine
CID 171367579
3,4-dimethyl-5-phenylmethoxypyridine
CID 70023630
2-chloro-4-ethyl-3-methyl-5-phenylmethoxybenzaldehyde
CID 91467417
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
3-ethyl-2-fluoro-6-methyl-4-phenylmethoxypyridine
CID 166726090
6-bromo-N-methyl-5-phenylmethoxypyridin-2-amine
CID 167449160
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(4-methoxy-3-methyl-5-phenylmethoxy-2-pyridinyl)methanol
CID 54539942
2-bromo-3,5,6-trimethyl-4-phenylmethoxypyridine
CID 169250451
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine?
The IUPAC name of 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine (CID 90979990) is 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine.
What is the SMILES notation for 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine?
The canonical SMILES for 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine is CCc1c(OCc2ccccc2)cnc(Br)c1C.
What is the InChIKey of 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine?
The InChIKey is TVDWMKHDFLNVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO/c1-3-13-11(2)15(16)17-9-14(13)18-10-12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine?
2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine has a molecular weight of 306.20 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-3-methyl-5-phenylmethoxypyridine is sourced from PubChem (CID 90979990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).