4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid

C15H12FNO2 — CID 170593233

IUPAC4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-c3ccccn3)cc(F)c2C1
InChIInChI=1S/C15H12FNO2/c16-13-8-10(14-3-1-2-4-17-14)5-9-6-11(15(18)19)7-12(9)13/h1-5,8,11H,6-7H2,(H,18,19)
InChIKeyPYNJPRNVLVBCPZ-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.69
Rot. Bonds2

About 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid

4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 170593233) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID170593233
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(-c3ccccn3)cc(F)c2C1
InChIInChI=1S/C15H12FNO2/c16-13-8-10(14-3-1-2-4-17-14)5-9-6-11(15(18)19)7-12(9)13/h1-5,8,11H,6-7H2,(H,18,19)
InChIKeyPYNJPRNVLVBCPZ-UHFFFAOYSA-N
XLogP2.69
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid (CID 170593233) is 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)C1Cc2cc(-c3ccccn3)cc(F)c2C1.
What is the InChIKey of 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is PYNJPRNVLVBCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-13-8-10(14-3-1-2-4-17-14)5-9-6-11(15(18)19)7-12(9)13/h1-5,8,11H,6-7H2,(H,18,19).
What are the key properties of 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid?
4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 257.26 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 170593233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).