(2-bromophenyl)-(2-methylindolizin-3-yl)methanone

C16H12BrNO — CID 2322054

IUPAC(2-bromophenyl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c1-11-10-12-6-4-5-9-18(12)15(11)16(19)13-7-2-3-8-14(13)17/h2-10H,1H3
InChIKeyCUIQPZBUNITRTP-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.24
Rot. Bonds2

About (2-bromophenyl)-(2-methylindolizin-3-yl)methanone

(2-bromophenyl)-(2-methylindolizin-3-yl)methanone (PubChem CID 2322054) has the molecular formula C16H12BrNO and a molecular weight of 314.18 g/mol. Its IUPAC name is (2-bromophenyl)-(2-methylindolizin-3-yl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-methylindolizin-3-yl)methanone
PubChem CID2322054
Molecular FormulaC16H12BrNO
Molecular Weight314.18 g/mol
Exact Mass313.01
IUPAC Name(2-bromophenyl)-(2-methylindolizin-3-yl)methanone
SMILESCc1cc2ccccn2c1C(=O)c1ccccc1Br
InChIInChI=1S/C16H12BrNO/c1-11-10-12-6-4-5-9-18(12)15(11)16(19)13-7-2-3-8-14(13)17/h2-10H,1H3
InChIKeyCUIQPZBUNITRTP-UHFFFAOYSA-N
XLogP4.24
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-methylindolizin-3-yl)methanone?
The IUPAC name of (2-bromophenyl)-(2-methylindolizin-3-yl)methanone (CID 2322054) is (2-bromophenyl)-(2-methylindolizin-3-yl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-methylindolizin-3-yl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-methylindolizin-3-yl)methanone is Cc1cc2ccccn2c1C(=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-methylindolizin-3-yl)methanone?
The InChIKey is CUIQPZBUNITRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrNO/c1-11-10-12-6-4-5-9-18(12)15(11)16(19)13-7-2-3-8-14(13)17/h2-10H,1H3.
What are the key properties of (2-bromophenyl)-(2-methylindolizin-3-yl)methanone?
(2-bromophenyl)-(2-methylindolizin-3-yl)methanone has a molecular weight of 314.18 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-methylindolizin-3-yl)methanone is sourced from PubChem (CID 2322054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).