7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid

C16H13NO2 — CID 3077880

IUPAC7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C=C(c1cccnc1)CC2
InChIInChI=1S/C16H13NO2/c18-16(19)13-6-4-11-3-5-12(8-15(11)9-13)14-2-1-7-17-10-14/h1-2,4,6-10H,3,5H2,(H,18,19)
InChIKeyMKFOKAYNCCLXKK-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.27
Rot. Bonds2

About 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid

7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid (PubChem CID 3077880) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid
PubChem CID3077880
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C=C(c1cccnc1)CC2
InChIInChI=1S/C16H13NO2/c18-16(19)13-6-4-11-3-5-12(8-15(11)9-13)14-2-1-7-17-10-14/h1-2,4,6-10H,3,5H2,(H,18,19)
InChIKeyMKFOKAYNCCLXKK-UHFFFAOYSA-N
XLogP3.27
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid?
The IUPAC name of 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid (CID 3077880) is 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid.
What is the SMILES notation for 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid?
The canonical SMILES for 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C=C(c1cccnc1)CC2.
What is the InChIKey of 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid?
The InChIKey is MKFOKAYNCCLXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(19)13-6-4-11-3-5-12(8-15(11)9-13)14-2-1-7-17-10-14/h1-2,4,6-10H,3,5H2,(H,18,19).
What are the key properties of 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid?
7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyridin-3-yl-5,6-dihydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 3077880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).