5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile

C19H13BrN2O2 — CID 177176529

IUPAC5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)cc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H13BrN2O2/c20-15-10-19(18(11-21)22-12-15)24-17-8-6-16(7-9-17)23-13-14-4-2-1-3-5-14/h1-10,12H,13H2
InChIKeyAQRZIEOYLWXVNQ-UHFFFAOYSA-N
MW381.23 g/mol
LogP5.09
Rot. Bonds5

About 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile

5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile (PubChem CID 177176529) has the molecular formula C19H13BrN2O2 and a molecular weight of 381.23 g/mol. Its IUPAC name is 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
PubChem CID177176529
Molecular FormulaC19H13BrN2O2
Molecular Weight381.23 g/mol
Exact Mass380.02
IUPAC Name5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile
SMILESN#Cc1ncc(Br)cc1Oc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H13BrN2O2/c20-15-10-19(18(11-21)22-12-15)24-17-8-6-16(7-9-17)23-13-14-4-2-1-3-5-14/h1-10,12H,13H2
InChIKeyAQRZIEOYLWXVNQ-UHFFFAOYSA-N
XLogP5.09
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.23
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-(4-methylphenoxy)pyridine-2-carbonitrile
CID 114202973
5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
CID 118211302
6-chloro-3-(4-phenylmethoxyphenoxy)pyrazine-2-carbonitrile
CID 22662788
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
5-bromo-3-[(2-methyl-3-pyridinyl)oxy]pyridine-2-carbonitrile
CID 67485726
5-phenylmethoxypyridine-2-carbonitrile
CID 15574701
3-bromo-5-phenylmethoxypyridine
CID 15389198
6-bromo-2-(4-phenylmethoxyphenoxy)quinoline
CID 141463365
5-ethynyl-2-(4-phenylmethoxyphenoxy)pyridine
CID 172879468
5-bromo-2-methoxy-3-phenoxypyridine
CID 165374137
2-bromo-6-phenylmethoxynaphthalene
CID 640595
1-cyano-4-hydroxy-7-phenylmethoxyisoquinoline-3-carboxylic acid
CID 68751448

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile (CID 177176529) is 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile is N#Cc1ncc(Br)cc1Oc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile?
The InChIKey is AQRZIEOYLWXVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN2O2/c20-15-10-19(18(11-21)22-12-15)24-17-8-6-16(7-9-17)23-13-14-4-2-1-3-5-14/h1-10,12H,13H2.
What are the key properties of 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile?
5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile has a molecular weight of 381.23 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-phenylmethoxyphenoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 177176529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).