2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane

C17H18ClN3O3 — CID 70357001

IUPAC2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane
SMILESC.O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)OCCO
InChIInChI=1S/C16H14ClN3O3.CH4/c17-12-5-3-11(4-6-12)15-19-13-2-1-7-18-16(13)20(15)10-14(22)23-9-8-21;/h1-7,21H,8-10H2;1H4
InChIKeyZYHIYBZFWSHRJJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.92
Rot. Bonds5

About 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane

2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane (PubChem CID 70357001) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane.

Molecular Properties

Compound Name2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane
PubChem CID70357001
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane
SMILESC.O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)OCCO
InChIInChI=1S/C16H14ClN3O3.CH4/c17-12-5-3-11(4-6-12)15-19-13-2-1-7-18-16(13)20(15)10-14(22)23-9-8-21;/h1-7,21H,8-10H2;1H4
InChIKeyZYHIYBZFWSHRJJ-UHFFFAOYSA-N
XLogP2.92
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane?
The IUPAC name of 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane (CID 70357001) is 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane.
What is the SMILES notation for 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane?
The canonical SMILES for 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane is C.O=C(Cn1c(-c2ccc(Cl)cc2)nc2cccnc21)OCCO.
What is the InChIKey of 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane?
The InChIKey is ZYHIYBZFWSHRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3.CH4/c17-12-5-3-11(4-6-12)15-19-13-2-1-7-18-16(13)20(15)10-14(22)23-9-8-21;/h1-7,21H,8-10H2;1H4.
What are the key properties of 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane?
2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane has a molecular weight of 347.80 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetate;methane is sourced from PubChem (CID 70357001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).