5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile

C18H15BrN2O4 — CID 2368271

IUPAC5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C[C@H]2CCCO2)c1=O
InChIInChI=1S/C18H15BrN2O4/c19-13-3-4-16(22)15(7-13)17(23)12-6-11(8-20)18(24)21(9-12)10-14-2-1-5-25-14/h3-4,6-7,9,14,22H,1-2,5,10H2/t14-/m1/s1
InChIKeySJSTUZUTHUFSFL-CQSZACIVSA-N
MW403.23 g/mol
LogP2.60
Rot. Bonds4

About 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile

5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile (PubChem CID 2368271) has the molecular formula C18H15BrN2O4 and a molecular weight of 403.23 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile
PubChem CID2368271
Molecular FormulaC18H15BrN2O4
Molecular Weight403.23 g/mol
Exact Mass402.02
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C[C@H]2CCCO2)c1=O
InChIInChI=1S/C18H15BrN2O4/c19-13-3-4-16(22)15(7-13)17(23)12-6-11(8-20)18(24)21(9-12)10-14-2-1-5-25-14/h3-4,6-7,9,14,22H,1-2,5,10H2/t14-/m1/s1
InChIKeySJSTUZUTHUFSFL-CQSZACIVSA-N
XLogP2.60
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.23
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-bromo-2-hydroxybenzoyl)-1-(1-methoxypropan-2-yl)-2-oxopyridine-3-carbonitrile
CID 22109223
5-amino-3-bromo-1-(oxolan-2-ylmethyl)pyridin-2-one
CID 80501846
4-bromo-2-[[4-(oxolan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 46840100
N-(5-bromo-2-cyanophenyl)-2-(oxolan-2-yl)acetamide
CID 104880211
2-(5-bromo-3-cyanoindol-1-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40610787
5-(5-bromo-2-hydroxybenzoyl)-2-imino-N-[[(2R)-oxolan-2-yl]methyl]pyran-3-carboxamide
CID 2401892
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 5-bromo-2-hydroxybenzoate
CID 8022131
1-[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile
CID 8632336
1-ethyl-2,4-dioxo-3-(oxolan-2-ylmethyl)pyrimidine-5-carbonitrile
CID 71900037
N-(5-bromo-2-cyanophenyl)-2-(oxan-2-yl)acetamide
CID 104880413
5-bromo-N-[5-tert-butyl-3-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-ylidene]-2-methoxybenzamide
CID 24899436
4-bromo-2-[1-[methyl(oxolan-2-ylmethyl)amino]ethyl]phenol
CID 82979140

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile (CID 2368271) is 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C[C@H]2CCCO2)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile?
The InChIKey is SJSTUZUTHUFSFL-CQSZACIVSA-N. The full InChI is InChI=1S/C18H15BrN2O4/c19-13-3-4-16(22)15(7-13)17(23)12-6-11(8-20)18(24)21(9-12)10-14-2-1-5-25-14/h3-4,6-7,9,14,22H,1-2,5,10H2/t14-/m1/s1.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile has a molecular weight of 403.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-hydroxybenzoyl)-2-oxo-1-[[(2R)-oxolan-2-yl]methyl]pyridine-3-carbonitrile is sourced from PubChem (CID 2368271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).