(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone

C16H11BrClNO2 — CID 13400082

IUPAC(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
SMILESCc1c(Br)c2ccccn2c1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H11BrClNO2/c1-9-14(17)12-4-2-3-7-19(12)15(9)16(21)10-5-6-13(20)11(18)8-10/h2-8,20H,1H3
InChIKeyZJVNXUCSENOGID-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.60
Rot. Bonds2

About (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone

(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone (PubChem CID 13400082) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
PubChem CID13400082
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone
SMILESCc1c(Br)c2ccccn2c1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H11BrClNO2/c1-9-14(17)12-4-2-3-7-19(12)15(9)16(21)10-5-6-13(20)11(18)8-10/h2-8,20H,1H3
InChIKeyZJVNXUCSENOGID-UHFFFAOYSA-N
XLogP4.60
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The IUPAC name of (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone (CID 13400082) is (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone.
What is the SMILES notation for (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The canonical SMILES for (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone is Cc1c(Br)c2ccccn2c1C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
The InChIKey is ZJVNXUCSENOGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c1-9-14(17)12-4-2-3-7-19(12)15(9)16(21)10-5-6-13(20)11(18)8-10/h2-8,20H,1H3.
What are the key properties of (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone?
(1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone has a molecular weight of 364.63 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromo-2-methylindolizin-3-yl)-(3-chloro-4-hydroxyphenyl)methanone is sourced from PubChem (CID 13400082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).