5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile

C16H11BrN2O3 — CID 3000211

IUPAC5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CC2)c1=O
InChIInChI=1S/C16H11BrN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2
InChIKeyDSBMMHQYMZZKBG-UHFFFAOYSA-N
MW359.18 g/mol
LogP2.75
Rot. Bonds3

About 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile

5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile (PubChem CID 3000211) has the molecular formula C16H11BrN2O3 and a molecular weight of 359.18 g/mol. Its IUPAC name is 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
PubChem CID3000211
Molecular FormulaC16H11BrN2O3
Molecular Weight359.18 g/mol
Exact Mass358.00
IUPAC Name5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CC2)c1=O
InChIInChI=1S/C16H11BrN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2
InChIKeyDSBMMHQYMZZKBG-UHFFFAOYSA-N
XLogP2.75
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-Bromo-2-hydroxybenzoyl)-1-butyl-2-oxopyridine-3-carbonitrile
CID 2368269
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-propan-2-ylpyridine-3-carbonitrile
CID 2467573
5-(5-Bromo-2-hydroxybenzoyl)-1-(3-methoxypropyl)-2-oxopyridine-3-carbonitrile
CID 3301986
5-(5-bromo-2-hydroxybenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 3519418
5-(5-Bromo-2-hydroxybenzoyl)-1-(3-ethoxypropyl)-2-oxopyridine-3-carbonitrile
CID 3554033
5-(5-Bromo-2-hydroxybenzoyl)-1-(2-methoxyethyl)-2-oxopyridine-3-carbonitrile
CID 3976796
5-[(5-Bromo-2-hydroxyphenyl)-oxomethyl]-1-cyclohexyl-2-oxo-3-pyridinecarbonitrile
CID 5022519
1-(5-Bromo-2-hydroxyphenyl)-3-(diethylamino)-2-propen-1-one
CID 6263092
5-(2-Hydroxybenzoyl)-2-oxo-1-(propan-2-yl)-1,2-dihydropyridine-3-carbonitrile
CID 2393667
1-Cyclopropyl-5-(5-fluoro-2-hydroxybenzoyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 2414364
1-Benzyl-5-(5-bromo-2-hydroxybenzoyl)-2-oxopyridine-3-carbonitrile
CID 3427652
5-(5-Bromo-2-hydroxybenzoyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 3984843

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile (CID 3000211) is 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile is N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(C2CC2)c1=O.
What is the InChIKey of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
The InChIKey is DSBMMHQYMZZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O3/c17-11-1-4-14(20)13(6-11)15(21)10-5-9(7-18)16(22)19(8-10)12-2-3-12/h1,4-6,8,12,20H,2-3H2.
What are the key properties of 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile?
5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile has a molecular weight of 359.18 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-hydroxybenzoyl)-1-cyclopropyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 3000211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).