2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid

C18H16BrFN2O2 — CID 177064253

IUPAC2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCCc1cc(Br)cc(F)c1-c1nc2cc(C)ccn2c1CC(=O)O
InChIInChI=1S/C18H16BrFN2O2/c1-3-11-7-12(19)8-13(20)17(11)18-14(9-16(23)24)22-5-4-10(2)6-15(22)21-18/h4-8H,3,9H2,1-2H3,(H,23,24)
InChIKeyOZWKTCFCBBCBKS-UHFFFAOYSA-N
MW391.24 g/mol
LogP4.40
Rot. Bonds4

About 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid

2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (PubChem CID 177064253) has the molecular formula C18H16BrFN2O2 and a molecular weight of 391.24 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
PubChem CID177064253
Molecular FormulaC18H16BrFN2O2
Molecular Weight391.24 g/mol
Exact Mass390.04
IUPAC Name2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid
SMILESCCc1cc(Br)cc(F)c1-c1nc2cc(C)ccn2c1CC(=O)O
InChIInChI=1S/C18H16BrFN2O2/c1-3-11-7-12(19)8-13(20)17(11)18-14(9-16(23)24)22-5-4-10(2)6-15(22)21-18/h4-8H,3,9H2,1-2H3,(H,23,24)
InChIKeyOZWKTCFCBBCBKS-UHFFFAOYSA-N
XLogP4.40
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid (CID 177064253) is 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is CCc1cc(Br)cc(F)c1-c1nc2cc(C)ccn2c1CC(=O)O.
What is the InChIKey of 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
The InChIKey is OZWKTCFCBBCBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrFN2O2/c1-3-11-7-12(19)8-13(20)17(11)18-14(9-16(23)24)22-5-4-10(2)6-15(22)21-18/h4-8H,3,9H2,1-2H3,(H,23,24).
What are the key properties of 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid?
2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid has a molecular weight of 391.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-ethyl-6-fluorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]acetic acid is sourced from PubChem (CID 177064253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).