6-cyanonaphthalene-1-carboxylic acid

C12H7NO2 — CID 22622245

IUPAC6-cyanonaphthalene-1-carboxylic acid
SMILESN#Cc1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C12H7NO2/c13-7-8-4-5-10-9(6-8)2-1-3-11(10)12(14)15/h1-6H,(H,14,15)
InChIKeyAGFJZOHADFYLDD-UHFFFAOYSA-N
MW197.19 g/mol
LogP2.41
Rot. Bonds1

About 6-cyanonaphthalene-1-carboxylic acid

6-cyanonaphthalene-1-carboxylic acid (PubChem CID 22622245) has the molecular formula C12H7NO2 and a molecular weight of 197.19 g/mol. Its IUPAC name is 6-cyanonaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name6-cyanonaphthalene-1-carboxylic acid
PubChem CID22622245
Molecular FormulaC12H7NO2
Molecular Weight197.19 g/mol
Exact Mass197.05
IUPAC Name6-cyanonaphthalene-1-carboxylic acid
SMILESN#Cc1ccc2c(C(=O)O)cccc2c1
InChIInChI=1S/C12H7NO2/c13-7-8-4-5-10-9(6-8)2-1-3-11(10)12(14)15/h1-6H,(H,14,15)
InChIKeyAGFJZOHADFYLDD-UHFFFAOYSA-N
XLogP2.41
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-cyanonaphthalene-1-carbonyl chloride
CID 22622253
6-ethynylnaphthalene-1-carboxylic acid
CID 22338976
6-chloronaphthalene-1-carboxylic acid
CID 13288328
5-carboxynaphthalene-2-diazonium
CID 155817948
6,7-difluoronaphthalene-1-carboxylic acid
CID 10856682
5-iodoanthracene-1-carboxylic acid
CID 139609518
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
6-hydrazinylnaphthalene-1-carboxylic acid
CID 150501058
7-ethynylnaphthalene-1,6-dicarboxylic acid
CID 22140191
5-[(5-carboxyanthracen-1-yl)methyl]anthracene-1-carboxylic acid
CID 88959445
6-cyanonaphthalene-1-sulfonate
CID 58462885
3-chloro-2-[(2-chloro-4-cyanophenyl)methoxy]benzoic acid
CID 102666745

Frequently Asked Questions

What is the IUPAC name of 6-cyanonaphthalene-1-carboxylic acid?
The IUPAC name of 6-cyanonaphthalene-1-carboxylic acid (CID 22622245) is 6-cyanonaphthalene-1-carboxylic acid.
What is the SMILES notation for 6-cyanonaphthalene-1-carboxylic acid?
The canonical SMILES for 6-cyanonaphthalene-1-carboxylic acid is N#Cc1ccc2c(C(=O)O)cccc2c1.
What is the InChIKey of 6-cyanonaphthalene-1-carboxylic acid?
The InChIKey is AGFJZOHADFYLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO2/c13-7-8-4-5-10-9(6-8)2-1-3-11(10)12(14)15/h1-6H,(H,14,15).
What are the key properties of 6-cyanonaphthalene-1-carboxylic acid?
6-cyanonaphthalene-1-carboxylic acid has a molecular weight of 197.19 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyanonaphthalene-1-carboxylic acid is sourced from PubChem (CID 22622245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).