2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid

C11H10N2O2 — CID 116824852

IUPAC2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
SMILESO=C(O)C(c1cccnc1)c1cc[nH]c1
InChIInChI=1S/C11H10N2O2/c14-11(15)10(9-3-5-13-7-9)8-2-1-4-12-6-8/h1-7,10,13H,(H,14,15)
InChIKeyVIICAWBQXRJZHV-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.63
Rot. Bonds3

About 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid

2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid (PubChem CID 116824852) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid.

Molecular Properties

Compound Name2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
PubChem CID116824852
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid
SMILESO=C(O)C(c1cccnc1)c1cc[nH]c1
InChIInChI=1S/C11H10N2O2/c14-11(15)10(9-3-5-13-7-9)8-2-1-4-12-6-8/h1-7,10,13H,(H,14,15)
InChIKeyVIICAWBQXRJZHV-UHFFFAOYSA-N
XLogP1.63
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-tert-butylphenyl)-2-pyridin-3-ylacetic acid
CID 116824819
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)ethanamine
CID 82281094
(2R)-2-bromo-2-pyridin-3-ylacetic acid
CID 95212347
2-pyridin-3-yl-2-(2,3,4-trimethylphenyl)acetic acid
CID 116824877
2,2-dipyridin-3-ylethanol
CID 57450821
barium(2+);2,2-diphenylacetic acid;hydride
CID 174636718
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
2-(propanoylamino)-2-pyridin-3-ylacetic acid
CID 82077606
(2S,3S)-3-azaniumyl-2-hydroxy-3-pyridin-3-ylpropanoate
CID 34177358
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430
(2S)-2-piperazin-1-yl-2-pyridin-3-ylacetic acid
CID 93409129

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid?
The IUPAC name of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid (CID 116824852) is 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid.
What is the SMILES notation for 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid?
The canonical SMILES for 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid is O=C(O)C(c1cccnc1)c1cc[nH]c1.
What is the InChIKey of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid?
The InChIKey is VIICAWBQXRJZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-11(15)10(9-3-5-13-7-9)8-2-1-4-12-6-8/h1-7,10,13H,(H,14,15).
What are the key properties of 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid?
2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid has a molecular weight of 202.21 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-2-(1H-pyrrol-3-yl)acetic acid is sourced from PubChem (CID 116824852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).