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

C10H9FN2O2 — CID 84780075

IUPAC2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
SMILESCn1c(CC(=O)O)cc2cc(F)cnc21
InChIInChI=1S/C10H9FN2O2/c1-13-8(4-9(14)15)3-6-2-7(11)5-12-10(6)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyWOZRAKLWVNFNRG-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.34
Rot. Bonds2

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

2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid (PubChem CID 84780075) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
PubChem CID84780075
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid
SMILESCn1c(CC(=O)O)cc2cc(F)cnc21
InChIInChI=1S/C10H9FN2O2/c1-13-8(4-9(14)15)3-6-2-7(11)5-12-10(6)13/h2-3,5H,4H2,1H3,(H,14,15)
InChIKeyWOZRAKLWVNFNRG-UHFFFAOYSA-N
XLogP1.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)-2-(methylamino)ethanol
CID 84788959
2-(2-amino-5-fluoro-3-pyridinyl)acetic acid
CID 118995801
2-[2-(difluoromethyl)-3-methylimidazol-4-yl]acetic acid
CID 84771354
5-fluoro-1-[(3-fluorophenyl)methyl]pyrrolo[2,3-b]pyridine;propanoic acid
CID 66907523
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
2-[2-(2-fluoropropan-2-yl)-3-methylimidazol-4-yl]acetic acid
CID 84775744
2-benzyl-1-methylpyrrolo[2,3-b]pyridin-5-ol
CID 141014920
2-(1-methyl-6-methylsulfanylindol-2-yl)acetic acid
CID 83919001
2-(1-methylpyrrolo[2,3-b]pyridin-5-yl)acetic acid
CID 118560478
2-(1,5-dimethylpyrrol-2-yl)acetic acid
CID 23460407
3-(6-fluoro-1-methylpyrrolo[3,2-b]pyridin-2-yl)butanoic acid
CID 84798035
5-ethenyl-1-methylpyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 169005444

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid (CID 84780075) is 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid is Cn1c(CC(=O)O)cc2cc(F)cnc21.
What is the InChIKey of 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid?
The InChIKey is WOZRAKLWVNFNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O2/c1-13-8(4-9(14)15)3-6-2-7(11)5-12-10(6)13/h2-3,5H,4H2,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid?
2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid has a molecular weight of 208.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-2-yl)acetic acid is sourced from PubChem (CID 84780075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).