3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine

C18H13BrClNO — CID 59840798

IUPAC3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2ccncc2Br)c1
InChIInChI=1S/C18H13BrClNO/c19-17-11-21-9-8-15(17)16-10-14(20)6-7-18(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyFLMAWFDQGBSLLR-UHFFFAOYSA-N
MW374.67 g/mol
LogP5.74
Rot. Bonds4

About 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine

3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine (PubChem CID 59840798) has the molecular formula C18H13BrClNO and a molecular weight of 374.67 g/mol. Its IUPAC name is 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine.

Molecular Properties

Compound Name3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine
PubChem CID59840798
Molecular FormulaC18H13BrClNO
Molecular Weight374.67 g/mol
Exact Mass372.99
IUPAC Name3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine
SMILESClc1ccc(OCc2ccccc2)c(-c2ccncc2Br)c1
InChIInChI=1S/C18H13BrClNO/c19-17-11-21-9-8-15(17)16-10-14(20)6-7-18(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyFLMAWFDQGBSLLR-UHFFFAOYSA-N
XLogP5.74
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine?
The IUPAC name of 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine (CID 59840798) is 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine.
What is the SMILES notation for 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine?
The canonical SMILES for 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine is Clc1ccc(OCc2ccccc2)c(-c2ccncc2Br)c1.
What is the InChIKey of 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine?
The InChIKey is FLMAWFDQGBSLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClNO/c19-17-11-21-9-8-15(17)16-10-14(20)6-7-18(16)22-12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine?
3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine has a molecular weight of 374.67 g/mol, XLogP of 5.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(5-chloro-2-phenylmethoxyphenyl)pyridine is sourced from PubChem (CID 59840798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).