6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine

C18H12BrNO — CID 141357196

IUPAC6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc2c(oc3ccc(Br)cc32)c(-c2ccccc2)n1
InChIInChI=1S/C18H12BrNO/c1-11-9-15-14-10-13(19)7-8-16(14)21-18(15)17(20-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVFMMUGLTLOBVKE-UHFFFAOYSA-N
MW338.20 g/mol
LogP5.72
Rot. Bonds1

About 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine

6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine (PubChem CID 141357196) has the molecular formula C18H12BrNO and a molecular weight of 338.20 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine.

Molecular Properties

Compound Name6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine
PubChem CID141357196
Molecular FormulaC18H12BrNO
Molecular Weight338.20 g/mol
Exact Mass337.01
IUPAC Name6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine
SMILESCc1cc2c(oc3ccc(Br)cc32)c(-c2ccccc2)n1
InChIInChI=1S/C18H12BrNO/c1-11-9-15-14-10-13(19)7-8-16(14)21-18(15)17(20-11)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyVFMMUGLTLOBVKE-UHFFFAOYSA-N
XLogP5.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.20
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-bromodibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147340530
2-(8-bromodibenzofuran-2-yl)-4,6-diphenyl-1,3,5-triazine;prop-1-ene
CID 142293061
2-bromo-8-(3-phenylphenyl)dibenzofuran
CID 90250557
6-bromo-2-methyl-4-phenylquinazoline
CID 4713931
2-(18-bromo-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-6-yl)-4,6-diphenyl-1,3,5-triazine
CID 146664441
8-bromo-1-(2-chloroethyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-one
CID 59535621
2-phenyl-3-[8-(3-phenylquinoxalin-2-yl)dibenzofuran-2-yl]quinoxaline
CID 3123808
7-bromo-2-phenylbenzo[e][1]benzofuran
CID 90759683
4-(4-bromophenyl)-6-methyl-2,3-diphenylpyridine
CID 134944928
3-bromo-6-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 155649676
2-[3-(8-bromodibenzofuran-4-yl)phenyl]-1-methyl-4,6-diphenylpyrimidin-1-ium
CID 123948067
2-bromo-6-(2-methylphenyl)dibenzofuran
CID 130421075

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine?
The IUPAC name of 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine (CID 141357196) is 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine.
What is the SMILES notation for 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine?
The canonical SMILES for 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine is Cc1cc2c(oc3ccc(Br)cc32)c(-c2ccccc2)n1.
What is the InChIKey of 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine?
The InChIKey is VFMMUGLTLOBVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrNO/c1-11-9-15-14-10-13(19)7-8-16(14)21-18(15)17(20-11)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine?
6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine has a molecular weight of 338.20 g/mol, XLogP of 5.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-phenyl-[1]benzofuro[2,3-c]pyridine is sourced from PubChem (CID 141357196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).