2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid

C18H17ClN2O2 — CID 11638467

IUPAC2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11(13-5-7-14(19)8-6-13)21-12(2)16(10-17(22)23)15-4-3-9-20-18(15)21/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyQDVYIXTZVQGJNS-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.23
Rot. Bonds4

About 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid

2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid (PubChem CID 11638467) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
PubChem CID11638467
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Name2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid
SMILESCc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C18H17ClN2O2/c1-11(13-5-7-14(19)8-6-13)21-12(2)16(10-17(22)23)15-4-3-9-20-18(15)21/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyQDVYIXTZVQGJNS-UHFFFAOYSA-N
XLogP4.23
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid (CID 11638467) is 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid is Cc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
The InChIKey is QDVYIXTZVQGJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-11(13-5-7-14(19)8-6-13)21-12(2)16(10-17(22)23)15-4-3-9-20-18(15)21/h3-9,11H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid?
2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid has a molecular weight of 328.80 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-chlorophenyl)ethyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid is sourced from PubChem (CID 11638467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).