4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C16H15ClN2O2 — CID 168587062

IUPAC4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Cl)ccc2OC(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H15ClN2O2/c1-9(2)21-15-5-4-11(17)7-13(15)12-6-10(3)19-16(20)14(12)8-18/h4-7,9H,1-3H3,(H,19,20)
InChIKeyXGJIJQSWIQXZFM-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.66
Rot. Bonds3

About 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 168587062) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID168587062
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1cc(-c2cc(Cl)ccc2OC(C)C)c(C#N)c(=O)[nH]1
InChIInChI=1S/C16H15ClN2O2/c1-9(2)21-15-5-4-11(17)7-13(15)12-6-10(3)19-16(20)14(12)8-18/h4-7,9H,1-3H3,(H,19,20)
InChIKeyXGJIJQSWIQXZFM-UHFFFAOYSA-N
XLogP3.66
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584801
4-(2-bromo-5-chlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168584524
4-[2-[(4-bromophenyl)methoxy]-5-chlorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586657
4-[4-(2,4-dichlorophenoxy)phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586114
4-[5-(difluoromethoxy)-2-fluorophenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168585905
4-(2-chloro-4-methylphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586093
[4-(3-cyano-6-methyl-2-oxo-1H-pyridin-4-yl)-2-methoxyphenyl] 2,4-dichlorobenzoate
CID 168586584
4-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168586891
6-methyl-2-oxo-4-(2,3,6-trichlorophenyl)-1H-pyridine-3-carbonitrile
CID 168586700
4-(2-chloro-5-fluorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 168587175
6-methyl-2-oxo-4-[2-(2-propan-2-ylphenoxy)phenyl]-1H-pyridine-3-carbonitrile
CID 168585556
6-methyl-4-[2-(4-methylphenyl)phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168584676

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 168587062) is 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1cc(-c2cc(Cl)ccc2OC(C)C)c(C#N)c(=O)[nH]1.
What is the InChIKey of 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is XGJIJQSWIQXZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-9(2)21-15-5-4-11(17)7-13(15)12-6-10(3)19-16(20)14(12)8-18/h4-7,9H,1-3H3,(H,19,20).
What are the key properties of 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 302.76 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-propan-2-yloxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 168587062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).