4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine

C17H16BrNO2 — CID 139994770

IUPAC4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine
SMILESCOc1ncc(Br)c2cc(-c3ccccc3C(C)C)oc12
InChIInChI=1S/C17H16BrNO2/c1-10(2)11-6-4-5-7-12(11)15-8-13-14(18)9-19-17(20-3)16(13)21-15/h4-10H,1-3H3
InChIKeyLHMUQBMIURVHFL-UHFFFAOYSA-N
MW346.22 g/mol
LogP5.39
Rot. Bonds3

About 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine

4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine (PubChem CID 139994770) has the molecular formula C17H16BrNO2 and a molecular weight of 346.22 g/mol. Its IUPAC name is 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine.

Molecular Properties

Compound Name4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine
PubChem CID139994770
Molecular FormulaC17H16BrNO2
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine
SMILESCOc1ncc(Br)c2cc(-c3ccccc3C(C)C)oc12
InChIInChI=1S/C17H16BrNO2/c1-10(2)11-6-4-5-7-12(11)15-8-13-14(18)9-19-17(20-3)16(13)21-15/h4-10H,1-3H3
InChIKeyLHMUQBMIURVHFL-UHFFFAOYSA-N
XLogP5.39
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.22
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-7-methoxyfuro[2,3-c]pyridin-2-yl)phenol
CID 139994753
7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine-4-carbaldehyde
CID 139994759
4-bromo-7-methoxy-2-methylfuro[2,3-c]pyridine
CID 118021480
5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine
CID 163293521
4-bromo-1-methoxy-6-methylisoquinoline
CID 84707543
1-[2-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]-7-methoxyfuro[2,3-c]pyridin-4-yl]-2-(3,5-dichloro-4-pyridinyl)ethanone
CID 139994767
1-bromo-2-methoxy-3-propan-2-ylbenzene
CID 11333670
4-bromo-1-ethoxyisoquinoline
CID 614075
4-bromo-1,5-dimethoxyisoquinoline
CID 84712002
4-bromo-1-methoxyisoquinolin-5-ol
CID 84708016
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
2-methoxy-3-(2-propan-2-ylphenyl)benzenethiol
CID 57213762

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine?
The IUPAC name of 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine (CID 139994770) is 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine.
What is the SMILES notation for 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine?
The canonical SMILES for 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine is COc1ncc(Br)c2cc(-c3ccccc3C(C)C)oc12.
What is the InChIKey of 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine?
The InChIKey is LHMUQBMIURVHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2/c1-10(2)11-6-4-5-7-12(11)15-8-13-14(18)9-19-17(20-3)16(13)21-15/h4-10H,1-3H3.
What are the key properties of 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine?
4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine has a molecular weight of 346.22 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methoxy-2-(2-propan-2-ylphenyl)furo[2,3-c]pyridine is sourced from PubChem (CID 139994770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).