2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid

C14H11N3O2 — CID 82481705

IUPAC2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nccc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H11N3O2/c18-14(19)7-13-15-6-5-12(17-13)10-8-16-11-4-2-1-3-9(10)11/h1-6,8,16H,7H2,(H,18,19)
InChIKeyINFPGOAXCZALJR-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.25
Rot. Bonds3

About 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid

2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid (PubChem CID 82481705) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
PubChem CID82481705
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid
SMILESO=C(O)Cc1nccc(-c2c[nH]c3ccccc23)n1
InChIInChI=1S/C14H11N3O2/c18-14(19)7-13-15-6-5-12(17-13)10-8-16-11-4-2-1-3-9(10)11/h1-6,8,16H,7H2,(H,18,19)
InChIKeyINFPGOAXCZALJR-UHFFFAOYSA-N
XLogP2.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[4-(1H-indol-3-yl)pyrimidin-2-yl]cyclopropyl]methanol
CID 116902491
2-[4-(2-chloropyrimidin-4-yl)-1H-indol-3-yl]acetic acid
CID 87581471
1-[4-(1H-indol-3-yl)pyrimidin-2-yl]ethanamine
CID 116897574
1-[2-(1H-indol-3-yl)quinolin-5-yl]propan-1-one
CID 160546260
6-(1H-indol-3-yl)-1,2,4-triazine-3-carboxylic acid
CID 82388103
4-(1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82287914
3-[4-(1H-indol-3-yl)pyrimidin-5-yl]propanoic acid
CID 82304795
5-amino-1-[2-(1H-indol-3-yl)quinolin-4-yl]pentan-1-one
CID 59950817
3-(1H-indol-3-yl)benzo[f]quinoline-1-carboxylate
CID 4278514
6-(1H-indol-3-yl)-1H-pyrimidin-2-one
CID 116900685
2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol
CID 157231418
2-ethyl-5-(1H-indol-3-yl)pyrimidin-4-amine
CID 175863340

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid?
The IUPAC name of 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid (CID 82481705) is 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid is O=C(O)Cc1nccc(-c2c[nH]c3ccccc23)n1.
What is the InChIKey of 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid?
The InChIKey is INFPGOAXCZALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)7-13-15-6-5-12(17-13)10-8-16-11-4-2-1-3-9(10)11/h1-6,8,16H,7H2,(H,18,19).
What are the key properties of 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid?
2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)pyrimidin-2-yl]acetic acid is sourced from PubChem (CID 82481705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).