2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

C17H13ClN2O4 — CID 18542250

IUPAC2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)c1
InChIInChI=1S/C17H13ClN2O4/c1-24-10-4-5-19-14(7-10)17(23)16-12(8-15(21)22)11-3-2-9(18)6-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyRFUDIMXRYHINIU-UHFFFAOYSA-N
MW344.75 g/mol
LogP3.08
Rot. Bonds5

About 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid

2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (PubChem CID 18542250) has the molecular formula C17H13ClN2O4 and a molecular weight of 344.75 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
PubChem CID18542250
Molecular FormulaC17H13ClN2O4
Molecular Weight344.75 g/mol
Exact Mass344.06
IUPAC Name2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
SMILESCOc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)c1
InChIInChI=1S/C17H13ClN2O4/c1-24-10-4-5-19-14(7-10)17(23)16-12(8-15(21)22)11-3-2-9(18)6-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22)
InChIKeyRFUDIMXRYHINIU-UHFFFAOYSA-N
XLogP3.08
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.75
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloropyridin-3-yl 1H-indole-2-carboxylate
CID 16204322
Indole chloropyridinyl-ester derived, 7c
CID 156907340
[6-chloro-2-[(5,6,7,8-tetrahydroisoquinolin-3-yl)carbonyl]-1H-indol-3-yl]acetic acid
CID 9864100
2-[2-(4-methylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 18542198
2-[6-chloro-5-fluoro-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542237
2-[6-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542252
2-[2-(4-ethylpyridine-2-carbonyl)-5-(trifluoromethoxy)-1H-indol-3-yl]acetic acid
CID 18542282
2-[5-methoxy-2-(4-methylpyridine-2-carbonyl)-1H-indol-3-yl]acetic acid
CID 18542341
2-(6-chloro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 54771136
6-Chloro-5-(4-methoxy-phenyl)-1H-indole-3-carboxylic acid
CID 71765801
1-(4-chloro-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone
CID 86728647
1-(6-chloro-1H-indol-3-yl)-2-((3-methoxyphenyl)amino)-2-phenylethanone
CID 86728746

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The IUPAC name of 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid (CID 18542250) is 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is COc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)c1.
What is the InChIKey of 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
The InChIKey is RFUDIMXRYHINIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O4/c1-24-10-4-5-19-14(7-10)17(23)16-12(8-15(21)22)11-3-2-9(18)6-13(11)20-16/h2-7,20H,8H2,1H3,(H,21,22).
What are the key properties of 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid?
2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid has a molecular weight of 344.75 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-methoxypyridine-2-carbonyl)-1H-indol-3-yl]acetic acid is sourced from PubChem (CID 18542250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).