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

C9H8FN3O2 — CID 84780407

IUPAC2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid
SMILESNC(C(=O)O)c1cc2cc(F)cnc2[nH]1
InChIInChI=1S/C9H8FN3O2/c10-5-1-4-2-6(7(11)9(14)15)13-8(4)12-3-5/h1-3,7H,11H2,(H,12,13)(H,14,15)
InChIKeyCYEPWPKLEHRCNC-UHFFFAOYSA-N
MW209.18 g/mol
LogP0.79
Rot. Bonds2

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

2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid (PubChem CID 84780407) has the molecular formula C9H8FN3O2 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid
PubChem CID84780407
Molecular FormulaC9H8FN3O2
Molecular Weight209.18 g/mol
Exact Mass209.06
IUPAC Name2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid
SMILESNC(C(=O)O)c1cc2cc(F)cnc2[nH]1
InChIInChI=1S/C9H8FN3O2/c10-5-1-4-2-6(7(11)9(14)15)13-8(4)12-3-5/h1-3,7H,11H2,(H,12,13)(H,14,15)
InChIKeyCYEPWPKLEHRCNC-UHFFFAOYSA-N
XLogP0.79
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-[3-methyl-1-(4-methylsulfonylphenyl)butyl]-1H-pyrrolo[2,3-b]pyridine
CID 58305245
5-fluoro-2-[1-(3-fluorophenyl)-3-methylbutyl]-1H-pyrrolo[2,3-b]pyridine
CID 141298050
1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-2-one
CID 84772261
3-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)propan-1-amine
CID 84772719
2-[2-cyclopentyl-1-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzonitrile
CID 123198586
(2R)-2-amino-3-(3,5-difluoro-2-pyridinyl)propanoic acid
CID 131055961
2-amino-2-isoquinolin-3-ylacetic acid
CID 84776704
2-amino-2-(2,3,5,6-tetrafluoro-4-pyridinyl)acetic acid
CID 135313699
2-amino-2-(2,3-dimethyl-7H-imidazo[1,2-a]imidazol-6-yl)acetic acid
CID 82395432
methyl 2-amino-2-(5-fluoro-2-pyridinyl)acetate
CID 131354217
5-[amino(carboxy)methyl]-3-fluoropyridine-2-carboxylic acid
CID 131871682
(2R)-2-amino-2-(2-amino-3,5-difluorophenyl)acetic acid
CID 130632470

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid?
The IUPAC name of 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid (CID 84780407) is 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid?
The canonical SMILES for 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid is NC(C(=O)O)c1cc2cc(F)cnc2[nH]1.
What is the InChIKey of 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid?
The InChIKey is CYEPWPKLEHRCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O2/c10-5-1-4-2-6(7(11)9(14)15)13-8(4)12-3-5/h1-3,7H,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid?
2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid has a molecular weight of 209.18 g/mol, XLogP of 0.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)acetic acid is sourced from PubChem (CID 84780407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).