5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile

C16H11FN4O2 — CID 139342703

IUPAC5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(C#N)c1
InChIInChI=1S/C16H11FN4O2/c1-2-12-14(21-8-11(17)7-19-16(21)20-12)15(23)9-3-4-13(22)10(5-9)6-18/h3-5,7-8,22H,2H2,1H3
InChIKeyIKDARRPZPXYDOA-UHFFFAOYSA-N
MW310.29 g/mol
LogP2.24
Rot. Bonds3

About 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile

5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile (PubChem CID 139342703) has the molecular formula C16H11FN4O2 and a molecular weight of 310.29 g/mol. Its IUPAC name is 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile.

Molecular Properties

Compound Name5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
PubChem CID139342703
Molecular FormulaC16H11FN4O2
Molecular Weight310.29 g/mol
Exact Mass310.09
IUPAC Name5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
SMILESCCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(C#N)c1
InChIInChI=1S/C16H11FN4O2/c1-2-12-14(21-8-11(17)7-19-16(21)20-12)15(23)9-3-4-13(22)10(5-9)6-18/h3-5,7-8,22H,2H2,1H3
InChIKeyIKDARRPZPXYDOA-UHFFFAOYSA-N
XLogP2.24
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxy-3-iodophenyl)methanone
CID 139342534
3-bromo-5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile
CID 139342441
(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342684
(6-bromo-2-ethylimidazo[1,2-a]pyrimidin-3-yl)-(4-hydroxyphenyl)methanone
CID 139342763
5-[5-ethyl-2-(methylideneamino)-3-[(Z)-prop-1-enyl]imidazole-4-carbonyl]-2-hydroxybenzonitrile
CID 155328078
5-(2-ethylimidazo[1,2-a]pyridine-3-carbonyl)-2-hydroxy-3-iodobenzonitrile;hydrochloride
CID 140918347
5-[5-ethyl-1-[(E)-2-fluoroprop-1-enyl]-2-(methylideneamino)imidazole-4-carbonyl]-2-hydroxybenzonitrile
CID 155328060
(3-chloro-4-methoxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
CID 126687576
ethane;2-ethyl-6-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156649042
ethane;(2-ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 145271556
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 134535281
5-(2-aminoacetyl)-2-hydroxybenzonitrile
CID 84767083

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile?
The IUPAC name of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile (CID 139342703) is 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile.
What is the SMILES notation for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile?
The canonical SMILES for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile is CCc1nc2ncc(F)cn2c1C(=O)c1ccc(O)c(C#N)c1.
What is the InChIKey of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile?
The InChIKey is IKDARRPZPXYDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4O2/c1-2-12-14(21-8-11(17)7-19-16(21)20-12)15(23)9-3-4-13(22)10(5-9)6-18/h3-5,7-8,22H,2H2,1H3.
What are the key properties of 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile?
5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile has a molecular weight of 310.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-6-fluoroimidazo[1,2-a]pyrimidine-3-carbonyl)-2-hydroxybenzonitrile is sourced from PubChem (CID 139342703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).