7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid

C17H13FN2O2 — CID 70434252

IUPAC7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)ccc3cc2F)c(C)n1
InChIInChI=1S/C17H13FN2O2/c1-9-3-5-12(10(2)19-9)13-8-16-11(7-14(13)18)4-6-15(20-16)17(21)22/h3-8H,1-2H3,(H,21,22)
InChIKeyTZOKDHNZUNUOFE-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.75
Rot. Bonds2

About 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid

7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid (PubChem CID 70434252) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid
PubChem CID70434252
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Name7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid
SMILESCc1ccc(-c2cc3nc(C(=O)O)ccc3cc2F)c(C)n1
InChIInChI=1S/C17H13FN2O2/c1-9-3-5-12(10(2)19-9)13-8-16-11(7-14(13)18)4-6-15(20-16)17(21)22/h3-8H,1-2H3,(H,21,22)
InChIKeyTZOKDHNZUNUOFE-UHFFFAOYSA-N
XLogP3.75
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid?
The IUPAC name of 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid (CID 70434252) is 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid.
What is the SMILES notation for 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid?
The canonical SMILES for 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid is Cc1ccc(-c2cc3nc(C(=O)O)ccc3cc2F)c(C)n1.
What is the InChIKey of 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid?
The InChIKey is TZOKDHNZUNUOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-9-3-5-12(10(2)19-9)13-8-16-11(7-14(13)18)4-6-15(20-16)17(21)22/h3-8H,1-2H3,(H,21,22).
What are the key properties of 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid?
7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid has a molecular weight of 296.30 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-dimethyl-3-pyridinyl)-6-fluoroquinoline-2-carboxylic acid is sourced from PubChem (CID 70434252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).