4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid

C17H14ClNO3 — CID 70359334

IUPAC4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
SMILESNc1ccc(Cl)cc1.O=C(O)c1cc2ccccc2cc1O
InChIInChI=1S/C11H8O3.C6H6ClN/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-5-1-3-6(8)4-2-5/h1-6,12H,(H,13,14);1-4H,8H2
InChIKeyFJFSJGMBRRWIHO-UHFFFAOYSA-N
MW315.76 g/mol
LogP4.17
Rot. Bonds1

About 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid

4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid (PubChem CID 70359334) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
PubChem CID70359334
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC Name4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid
SMILESNc1ccc(Cl)cc1.O=C(O)c1cc2ccccc2cc1O
InChIInChI=1S/C11H8O3.C6H6ClN/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-5-1-3-6(8)4-2-5/h1-6,12H,(H,13,14);1-4H,8H2
InChIKeyFJFSJGMBRRWIHO-UHFFFAOYSA-N
XLogP4.17
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

CID 69256301
CID 69256301
benzene-1,4-diamine;2-hydroxybenzoic acid
CID 162016766
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
3-hydroxynaphthalene-2-carboxamide
CID 19317
7-[[(4-chlorophenyl)methylamino]methyl]-3-hydroxynaphthalene-2-carboxylic acid
CID 57489760
1,4-dichlorobenzene;phthalic acid
CID 146444395
8-chloro-3-hydroxynaphthalene-2-carboxylic acid
CID 155346108
3-chloronaphthalene-2-carboxylic acid;hydrochloride
CID 69376423
3-amino-1-(3-hydroxynaphthalen-2-yl)propan-1-one
CID 117306698
2-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamoyl]benzoic acid
CID 969323
3-(3-hydroxynaphthalene-2-carbonyl)oxynaphthalene-2-carboxylic acid
CID 54032233
3-hydroxynaphthalene-2-carboxylic acid;octanamide
CID 22901759

Frequently Asked Questions

What is the IUPAC name of 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid (CID 70359334) is 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid is Nc1ccc(Cl)cc1.O=C(O)c1cc2ccccc2cc1O.
What is the InChIKey of 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid?
The InChIKey is FJFSJGMBRRWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3.C6H6ClN/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;7-5-1-3-6(8)4-2-5/h1-6,12H,(H,13,14);1-4H,8H2.
What are the key properties of 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid?
4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid has a molecular weight of 315.76 g/mol, XLogP of 4.17, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroaniline;3-hydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 70359334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).