2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

C17H13FN2O3 — CID 18542368

IUPAC2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCc1ccnc(C(=O)c2[nH]c3ccc(F)cc3c2CC(=O)O)c1
InChIInChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyDNIKRHXQZCTYOD-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.87
Rot. Bonds4

About 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (PubChem CID 18542368) has the molecular formula C17H13FN2O3 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
PubChem CID18542368
Molecular FormulaC17H13FN2O3
Molecular Weight312.30 g/mol
Exact Mass312.09
IUPAC Name2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCc1ccnc(C(=O)c2[nH]c3ccc(F)cc3c2CC(=O)O)c1
InChIInChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyDNIKRHXQZCTYOD-UHFFFAOYSA-N
XLogP2.87
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (CID 18542368) is 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is Cc1ccnc(C(=O)c2[nH]c3ccc(F)cc3c2CC(=O)O)c1.
What is the InChIKey of 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The InChIKey is DNIKRHXQZCTYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O3/c1-9-4-5-19-14(6-9)17(23)16-12(8-15(21)22)11-7-10(18)2-3-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22).
What are the key properties of 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid has a molecular weight of 312.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 18542368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).