6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

C21H16FN3O2 — CID 69097248

IUPAC6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(Cc3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1F
InChIInChI=1S/C21H16FN3O2/c1-12-8-15-16(9-14-5-2-6-18(24-14)21(26)27)20(13-4-3-7-23-11-13)25-19(15)10-17(12)22/h2-8,10-11,25H,9H2,1H3,(H,26,27)
InChIKeyMZGJGFGMKZAFBR-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.36
Rot. Bonds4

About 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid

6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 69097248) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID69097248
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(Cc3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1F
InChIInChI=1S/C21H16FN3O2/c1-12-8-15-16(9-14-5-2-6-18(24-14)21(26)27)20(13-4-3-7-23-11-13)25-19(15)10-17(12)22/h2-8,10-11,25H,9H2,1H3,(H,26,27)
InChIKeyMZGJGFGMKZAFBR-UHFFFAOYSA-N
XLogP4.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 69097248) is 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is Cc1cc2c(Cc3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1F.
What is the InChIKey of 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is MZGJGFGMKZAFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-12-8-15-16(9-14-5-2-6-18(24-14)21(26)27)20(13-4-3-7-23-11-13)25-19(15)10-17(12)22/h2-8,10-11,25H,9H2,1H3,(H,26,27).
What are the key properties of 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69097248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).