2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine

C17H17N3O2 — CID 175240143

IUPAC2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine
SMILESCc1c[nH]cc1CC(=O)O.c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C10H8N2.C7H9NO2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-5-3-8-4-6(5)2-7(9)10/h1-8H;3-4,8H,2H2,1H3,(H,9,10)
InChIKeyYSLWCJHMGHOLKX-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine

2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine (PubChem CID 175240143) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine
PubChem CID175240143
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine
SMILESCc1c[nH]cc1CC(=O)O.c1ccc(-c2cccnc2)nc1
InChIInChI=1S/C10H8N2.C7H9NO2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-5-3-8-4-6(5)2-7(9)10/h1-8H;3-4,8H,2H2,1H3,(H,9,10)
InChIKeyYSLWCJHMGHOLKX-UHFFFAOYSA-N
XLogP3.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-pyridin-2-yl-5-(5-pyridin-3-yl-2-pyridinyl)pyridine
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2-(5-fluoro-6-pyridin-3-yl-3-pyridinyl)acetic acid
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bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
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7,14-dimethyl-6,13-bis(4-pyridin-2-ylphenyl)quinolino[4,3-j]phenanthridine;7,14-dimethyl-6,13-bis(4-pyridin-3-ylphenyl)quinolino[4,3-j]phenanthridine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine?
The IUPAC name of 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine (CID 175240143) is 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine.
What is the SMILES notation for 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine?
The canonical SMILES for 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine is Cc1c[nH]cc1CC(=O)O.c1ccc(-c2cccnc2)nc1.
What is the InChIKey of 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine?
The InChIKey is YSLWCJHMGHOLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.C7H9NO2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9;1-5-3-8-4-6(5)2-7(9)10/h1-8H;3-4,8H,2H2,1H3,(H,9,10).
What are the key properties of 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine?
2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine has a molecular weight of 295.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrrol-3-yl)acetic acid;2-pyridin-3-ylpyridine is sourced from PubChem (CID 175240143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).