3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine

C19H18BrNO2 — CID 142506302

IUPAC3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine
SMILESBrc1ccc(OCC2C=CC=CC2)nc1OCc1ccccc1
InChIInChI=1S/C19H18BrNO2/c20-17-11-12-18(22-13-15-7-3-1-4-8-15)21-19(17)23-14-16-9-5-2-6-10-16/h1-7,9-12,15H,8,13-14H2
InChIKeyZGURSVXPUBHUSZ-UHFFFAOYSA-N
MW372.26 g/mol
LogP4.93
Rot. Bonds6

About 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine

3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine (PubChem CID 142506302) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine.

Molecular Properties

Compound Name3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine
PubChem CID142506302
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine
SMILESBrc1ccc(OCC2C=CC=CC2)nc1OCc1ccccc1
InChIInChI=1S/C19H18BrNO2/c20-17-11-12-18(22-13-15-7-3-1-4-8-15)21-19(17)23-14-16-9-5-2-6-10-16/h1-7,9-12,15H,8,13-14H2
InChIKeyZGURSVXPUBHUSZ-UHFFFAOYSA-N
XLogP4.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-6-iodo-2-phenylmethoxypyridine
CID 90076323
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
CID 167474815
N-(4-bromo-2-nitro-3-phenylmethoxyphenyl)-2,6-bis(phenylmethoxy)pyridin-3-amine
CID 177010398
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
2-[2-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]-6-(methoxymethyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 143475117
5-bromo-3-fluoro-2-methoxy-6-phenylmethoxypyridine
CID 67127321
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-6-bromo-7-fluoro-1-methylindazole
CID 170322126
2-methoxy-6-phenylmethoxypyridin-3-amine
CID 43261924
3,6-bis(phenylmethoxy)pyridazine
CID 68982842
2-[2,6-bis(phenylmethoxy)-3-pyridinyl]-5-bromo-4-fluoro-3-methyl-3H-isoindol-1-one
CID 171530150
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-3,5-difluoroaniline
CID 168874664

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine?
The IUPAC name of 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine (CID 142506302) is 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine.
What is the SMILES notation for 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine?
The canonical SMILES for 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine is Brc1ccc(OCC2C=CC=CC2)nc1OCc1ccccc1.
What is the InChIKey of 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine?
The InChIKey is ZGURSVXPUBHUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c20-17-11-12-18(22-13-15-7-3-1-4-8-15)21-19(17)23-14-16-9-5-2-6-10-16/h1-7,9-12,15H,8,13-14H2.
What are the key properties of 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine?
3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine has a molecular weight of 372.26 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(cyclohexa-2,4-dien-1-ylmethoxy)-2-phenylmethoxypyridine is sourced from PubChem (CID 142506302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).