3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid

C26H22BrNO4 — CID 175548926

IUPAC3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.O=CO
InChIInChI=1S/C25H20BrNO2.CH2O2/c26-22-13-11-21(12-14-22)23-15-16-24(28-17-19-7-3-1-4-8-19)27-25(23)29-18-20-9-5-2-6-10-20;2-1-3/h1-16H,17-18H2;1H,(H,2,3)
InChIKeyLCCAIWMLSCKLBJ-UHFFFAOYSA-N
MW492.37 g/mol
LogP6.37
Rot. Bonds7

About 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid

3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid (PubChem CID 175548926) has the molecular formula C26H22BrNO4 and a molecular weight of 492.37 g/mol. Its IUPAC name is 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid.

Molecular Properties

Compound Name3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
PubChem CID175548926
Molecular FormulaC26H22BrNO4
Molecular Weight492.37 g/mol
Exact Mass491.07
IUPAC Name3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
SMILESBrc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.O=CO
InChIInChI=1S/C25H20BrNO2.CH2O2/c26-22-13-11-21(12-14-22)23-15-16-24(28-17-19-7-3-1-4-8-19)27-25(23)29-18-20-9-5-2-6-10-20;2-1-3/h1-16H,17-18H2;1H,(H,2,3)
InChIKeyLCCAIWMLSCKLBJ-UHFFFAOYSA-N
XLogP6.37
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.37
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
3-(5-bromo-2-pyridinyl)-2,6-bis(phenylmethoxy)pyridine
CID 167474815
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
CID 175543369
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
CID 171491745
4-(2-methyl-6-phenylmethoxy-3-pyridinyl)phenol
CID 170262262
tert-butyl N-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]carbamate
CID 166552767
methyl 5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-1H-indole-2-carboxylate
CID 171788735
4-(6-methyl-2-phenylmethoxy-3-pyridinyl)aniline
CID 170129561
6-(4-bromophenyl)-3-methyl-4-phenyl-2-phenylmethoxypyridine
CID 141482511
3-[2,6-bis(phenylmethoxy)-3-pyridinyl]-4-methylphenol
CID 170979866

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid?
The IUPAC name of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid (CID 175548926) is 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid.
What is the SMILES notation for 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid?
The canonical SMILES for 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid is Brc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1.O=CO.
What is the InChIKey of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid?
The InChIKey is LCCAIWMLSCKLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrNO2.CH2O2/c26-22-13-11-21(12-14-22)23-15-16-24(28-17-19-7-3-1-4-8-19)27-25(23)29-18-20-9-5-2-6-10-20;2-1-3/h1-16H,17-18H2;1H,(H,2,3).
What are the key properties of 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid?
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid has a molecular weight of 492.37 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid is sourced from PubChem (CID 175548926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).