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

C20H13ClFN3O2 — CID 69097249

IUPAC6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(Cl)c(F)cc23)n1
InChIInChI=1S/C20H13ClFN3O2/c21-15-9-18-13(8-16(15)22)14(19(25-18)11-3-2-6-23-10-11)7-12-4-1-5-17(24-12)20(26)27/h1-6,8-10,25H,7H2,(H,26,27)
InChIKeyIWRMENRMSPEHIY-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.71
Rot. Bonds4

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

6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 69097249) has the molecular formula C20H13ClFN3O2 and a molecular weight of 381.79 g/mol. Its IUPAC name is 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
PubChem CID69097249
Molecular FormulaC20H13ClFN3O2
Molecular Weight381.79 g/mol
Exact Mass381.07
IUPAC Name6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(Cl)c(F)cc23)n1
InChIInChI=1S/C20H13ClFN3O2/c21-15-9-18-13(8-16(15)22)14(19(25-18)11-3-2-6-23-10-11)7-12-4-1-5-17(24-12)20(26)27/h1-6,8-10,25H,7H2,(H,26,27)
InChIKeyIWRMENRMSPEHIY-UHFFFAOYSA-N
XLogP4.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid (CID 69097249) is 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is O=C(O)c1cccc(Cc2c(-c3cccnc3)[nH]c3cc(Cl)c(F)cc23)n1.
What is the InChIKey of 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is IWRMENRMSPEHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O2/c21-15-9-18-13(8-16(15)22)14(19(25-18)11-3-2-6-23-10-11)7-12-4-1-5-17(24-12)20(26)27/h1-6,8-10,25H,7H2,(H,26,27).
What are the key properties of 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid?
6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 381.79 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloro-5-fluoro-2-pyridin-3-yl-1H-indol-3-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 69097249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).