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

C21H16FN3O3 — CID 90378951

IUPAC6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(C(O)c3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1F
InChIInChI=1S/C21H16FN3O3/c1-11-8-13-17(9-14(11)22)25-19(12-4-3-7-23-10-12)18(13)20(26)15-5-2-6-16(24-15)21(27)28/h2-10,20,25-26H,1H3,(H,27,28)
InChIKeyOGRDKIVWWYKLKD-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.85
Rot. Bonds4

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

6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid (PubChem CID 90378951) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid
PubChem CID90378951
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC Name6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(C(O)c3cccc(C(=O)O)n3)c(-c3cccnc3)[nH]c2cc1F
InChIInChI=1S/C21H16FN3O3/c1-11-8-13-17(9-14(11)22)25-19(12-4-3-7-23-10-12)18(13)20(26)15-5-2-6-16(24-15)21(27)28/h2-10,20,25-26H,1H3,(H,27,28)
InChIKeyOGRDKIVWWYKLKD-UHFFFAOYSA-N
XLogP3.85
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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)-hydroxymethyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid (CID 90378951) is 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid is Cc1cc2c(C(O)c3cccc(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)-hydroxymethyl]pyridine-2-carboxylic acid?
The InChIKey is OGRDKIVWWYKLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-11-8-13-17(9-14(11)22)25-19(12-4-3-7-23-10-12)18(13)20(26)15-5-2-6-16(24-15)21(27)28/h2-10,20,25-26H,1H3,(H,27,28).
What are the key properties of 6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid?
6-[(6-fluoro-5-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hydroxymethyl]pyridine-2-carboxylic acid has a molecular weight of 377.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 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)-hydroxymethyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 90378951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).