(2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone

C15H15BrN2O — CID 16611910

IUPAC(2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11(2)17-14-9-5-6-10-18(14)15(19)12-7-3-4-8-13(12)16/h3-11H,1-2H3/b17-14+
InChIKeyZZHNLNXGLBOATM-SAPNQHFASA-N
MW319.20 g/mol
LogP3.25
Rot. Bonds2

About (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone

(2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone (PubChem CID 16611910) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
PubChem CID16611910
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name(2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone
SMILESCC(C)/N=c1\ccccn1C(=O)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O/c1-11(2)17-14-9-5-6-10-18(14)15(19)12-7-3-4-8-13(12)16/h3-11H,1-2H3/b17-14+
InChIKeyZZHNLNXGLBOATM-SAPNQHFASA-N
XLogP3.25
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The IUPAC name of (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone (CID 16611910) is (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone.
What is the SMILES notation for (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The canonical SMILES for (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone is CC(C)/N=c1\ccccn1C(=O)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
The InChIKey is ZZHNLNXGLBOATM-SAPNQHFASA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-11(2)17-14-9-5-6-10-18(14)15(19)12-7-3-4-8-13(12)16/h3-11H,1-2H3/b17-14+.
What are the key properties of (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone?
(2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone has a molecular weight of 319.20 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(2-propan-2-ylimino-1-pyridinyl)methanone is sourced from PubChem (CID 16611910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).