6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

C14H11BrN2O2 — CID 139215624

IUPAC6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Br)ccc2O)n(C)c(=O)c1C#N
InChIInChI=1S/C14H11BrN2O2/c1-8-5-12(17(2)14(19)11(8)7-16)10-6-9(15)3-4-13(10)18/h3-6,18H,1-2H3
InChIKeyZSZLOIBHTYCGKO-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.70
Rot. Bonds1

About 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile

6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (PubChem CID 139215624) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
PubChem CID139215624
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Br)ccc2O)n(C)c(=O)c1C#N
InChIInChI=1S/C14H11BrN2O2/c1-8-5-12(17(2)14(19)11(8)7-16)10-6-9(15)3-4-13(10)18/h3-6,18H,1-2H3
InChIKeyZSZLOIBHTYCGKO-UHFFFAOYSA-N
XLogP2.70
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(5-bromo-2-methylphenyl)phenol
CID 170237414
6-amino-4-(5-bromo-2-methoxyphenyl)-1-methyl-2-oxopyridine-3-carbonitrile
CID 84609752
1-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)amino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 135956247
1-[(3-bromophenyl)methyl]-4-methyl-2-oxo-6-phenylpyridine-3-carbonitrile
CID 142264655
4-(5-bromo-2-hydroxyphenyl)-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168587482
1-[1-(4-bromophenyl)ethylideneamino]-4,6-dimethyl-2-oxopyridine-3-carbonitrile
CID 717796
1-(3-bromophenyl)-4,5-dimethyl-2-oxopyridine-3-carbonitrile
CID 82124754
6-(5-chloro-2-hydroxyphenyl)-4-methyl-2-oxopyran-3-carbonitrile
CID 139215625
1-(3-bromo-4-methylphenyl)-4-methyl-2-oxopyridine-3-carbonitrile
CID 82124750
4-(2,4-dibromophenoxy)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 24573477
4-(5-bromo-2-fluorophenyl)-2-hydroxy-6-oxo-1H-pyridine-3-carbonitrile
CID 116862206
4-(6-bromo-2-hydroxynaphthalen-1-yl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586021

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile (CID 139215624) is 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is Cc1cc(-c2cc(Br)ccc2O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
The InChIKey is ZSZLOIBHTYCGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c1-8-5-12(17(2)14(19)11(8)7-16)10-6-9(15)3-4-13(10)18/h3-6,18H,1-2H3.
What are the key properties of 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile?
6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile has a molecular weight of 319.16 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromo-2-hydroxyphenyl)-1,4-dimethyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 139215624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).