2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid

C10H10N2O2 — CID 118560478

IUPAC2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
SMILESCn1ccc2cc(CC(=O)O)cnc21
InChIInChI=1S/C10H10N2O2/c1-12-3-2-8-4-7(5-9(13)14)6-11-10(8)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyGQVPHJKCGSLCNY-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.20
Rot. Bonds2

About 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid

2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid (PubChem CID 118560478) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
PubChem CID118560478
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
SMILESCn1ccc2cc(CC(=O)O)cnc21
InChIInChI=1S/C10H10N2O2/c1-12-3-2-8-4-7(5-9(13)14)6-11-10(8)12/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyGQVPHJKCGSLCNY-UHFFFAOYSA-N
XLogP1.20
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

butyl 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetate
CID 145054628
1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 141014223
2-(1-methylindol-6-yl)acetic acid
CID 77230193
5-iodo-1-methylpyrrolo[2,3-b]pyridine
CID 140675954
2-(1,6-naphthyridin-3-yl)acetic acid
CID 84770667
tert-butyl (E)-3-(1-methylpyrrolo[2,3-b]pyridin-5-yl)prop-2-enoate
CID 118444801
2-(3-cyclopropyl-1-methylpyrazolo[3,4-b]pyridin-5-yl)acetic acid
CID 83894767
5-ethynyl-1-methylpyrrolo[2,3-b]pyridine
CID 130121023
1-(1-methylpyrazolo[5,4-b]pyridin-5-yl)propan-2-one
CID 83877089
2-(5-methylpyrrolo[2,3-b]pyridin-1-yl)acetic acid
CID 117223851
6-chloro-1-methylpyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 169264396
2-(7-chloro-1-methylindazol-5-yl)acetic acid
CID 83891916

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid (CID 118560478) is 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid is Cn1ccc2cc(CC(=O)O)cnc21.
What is the InChIKey of 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid?
The InChIKey is GQVPHJKCGSLCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-3-2-8-4-7(5-9(13)14)6-11-10(8)12/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid?
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid has a molecular weight of 190.20 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid is sourced from PubChem (CID 118560478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).