7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid

C18H10ClNO2 — CID 58553230

IUPAC7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid
SMILESN#Cc1ccc(-c2c(Cl)ccc3ccc(C(=O)O)cc23)cc1
InChIInChI=1S/C18H10ClNO2/c19-16-8-7-12-5-6-14(18(21)22)9-15(12)17(16)13-3-1-11(10-20)2-4-13/h1-9H,(H,21,22)
InChIKeyNAZVSFJMDSRDJG-UHFFFAOYSA-N
MW307.74 g/mol
LogP4.73
Rot. Bonds2

About 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid

7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid (PubChem CID 58553230) has the molecular formula C18H10ClNO2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid
PubChem CID58553230
Molecular FormulaC18H10ClNO2
Molecular Weight307.74 g/mol
Exact Mass307.04
IUPAC Name7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid
SMILESN#Cc1ccc(-c2c(Cl)ccc3ccc(C(=O)O)cc23)cc1
InChIInChI=1S/C18H10ClNO2/c19-16-8-7-12-5-6-14(18(21)22)9-15(12)17(16)13-3-1-11(10-20)2-4-13/h1-9H,(H,21,22)
InChIKeyNAZVSFJMDSRDJG-UHFFFAOYSA-N
XLogP4.73
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-chloro-8-(4-cyano-2-methylphenyl)naphthalene-2-carboxylic acid
CID 58553699
4-[4-(4-cyanophenyl)phenyl]benzoic acid
CID 102170624
4-(4-cyanophenyl)benzoic acid;ethane
CID 143220259
4-cyanonaphthalene-2,6-dicarboxylic acid
CID 132573257
4-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218381
3-(4-chloro-3-cyanophenyl)benzoic acid
CID 53218380
4-[(2,6-dichloro-4-cyanophenoxy)methyl]benzoic acid
CID 3924196
8-(2,3-dichlorophenyl)naphthalene-2-carboxylic acid
CID 58553759
3-cyano-4-(4-cyanophenyl)sulfanylbenzoic acid
CID 91878249
3-amino-5-(4-cyanophenyl)benzoic acid
CID 53225074
4-[2-[[4-chloro-3-(3-chloro-5-cyanophenyl)phenyl]methylamino]-2-oxoethyl]benzoic acid
CID 175264830
3-amino-4-(2-chloro-4-cyanoanilino)benzoic acid
CID 107809752

Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid?
The IUPAC name of 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid (CID 58553230) is 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid.
What is the SMILES notation for 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid?
The canonical SMILES for 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid is N#Cc1ccc(-c2c(Cl)ccc3ccc(C(=O)O)cc23)cc1.
What is the InChIKey of 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid?
The InChIKey is NAZVSFJMDSRDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClNO2/c19-16-8-7-12-5-6-14(18(21)22)9-15(12)17(16)13-3-1-11(10-20)2-4-13/h1-9H,(H,21,22).
What are the key properties of 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid?
7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid has a molecular weight of 307.74 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-(4-cyanophenyl)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58553230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).