(3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

C16H12ClFN2O2 — CID 126687577

IUPAC(3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H12ClFN2O2/c1-2-12-15(20-8-10(18)4-6-14(20)19-12)16(22)9-3-5-13(21)11(17)7-9/h3-8,21H,2H2,1H3
InChIKeyHTWZZTDPLJCCJP-UHFFFAOYSA-N
MW318.74 g/mol
LogP3.63
Rot. Bonds3

About (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone

(3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 126687577) has the molecular formula C16H12ClFN2O2 and a molecular weight of 318.74 g/mol. Its IUPAC name is (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID126687577
Molecular FormulaC16H12ClFN2O2
Molecular Weight318.74 g/mol
Exact Mass318.06
IUPAC Name(3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESCCc1nc2ccc(F)cn2c1C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C16H12ClFN2O2/c1-2-12-15(20-8-10(18)4-6-14(20)19-12)16(22)9-3-5-13(21)11(17)7-9/h3-8,21H,2H2,1H3
InChIKeyHTWZZTDPLJCCJP-UHFFFAOYSA-N
XLogP3.63
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Aminoimidazo[1,2-a]pyridine deriv. 21
CID 5330639
2-[6-chloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168287839
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(4-hydroxyphenyl)methanone
CID 455752
(2-Ethylimidazo[1,2-a]pyridin-3-yl)-(3-hydroxyphenyl)methanone
CID 455753
2-(4-Chlorophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 135032509
(3-Chloro-4-methoxyphenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 7150868
(3,5-Dichloro-2-hydroxyphenyl)-(2,3-dimethylimidazo[4,5-b]pyridin-6-yl)methanone
CID 125511267
(3,5-Dichloro-2-hydroxyphenyl)-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 134833710
1-(4-Hydroxyphenyl)-2-imidazo[1,2-a]pyridin-3-ylethane-1,2-dione
CID 134956705
6-Chloro-2-(4-fluorophenyl)-7-methylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 59233848
8-Chloro-5-(3-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 66992776
N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 89515929

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone (CID 126687577) is (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is CCc1nc2ccc(F)cn2c1C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is HTWZZTDPLJCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN2O2/c1-2-12-15(20-8-10(18)4-6-14(20)19-12)16(22)9-3-5-13(21)11(17)7-9/h3-8,21H,2H2,1H3.
What are the key properties of (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone?
(3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 318.74 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-hydroxyphenyl)-(2-ethyl-6-fluoroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 126687577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).