4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile

C18H10Br2N2O — CID 19656390

IUPAC4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C18H10Br2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23)
InChIKeyMTDHJTKCWYVKGD-UHFFFAOYSA-N
MW430.10 g/mol
LogP5.11
Rot. Bonds2

About 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile

4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656390) has the molecular formula C18H10Br2N2O and a molecular weight of 430.10 g/mol. Its IUPAC name is 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656390
Molecular FormulaC18H10Br2N2O
Molecular Weight430.10 g/mol
Exact Mass427.92
IUPAC Name4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O
InChIInChI=1S/C18H10Br2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23)
InChIKeyMTDHJTKCWYVKGD-UHFFFAOYSA-N
XLogP5.11
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.10
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656390) is 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccc(Br)cc2)[nH]c1=O.
What is the InChIKey of 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is MTDHJTKCWYVKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Br2N2O/c19-13-5-1-11(2-6-13)15-9-17(22-18(23)16(15)10-21)12-3-7-14(20)8-4-12/h1-9H,(H,22,23).
What are the key properties of 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 430.10 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-bromophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).