4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

C11H13Cl2NO2 — CID 70448730

IUPAC4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.NC1CC(C(=O)O)Cc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO2.ClH/c12-8-2-1-6-3-7(11(14)15)4-10(13)9(6)5-8;/h1-2,5,7,10H,3-4,13H2,(H,14,15);1H
InChIKeyCYUAGPYATXKCMA-UHFFFAOYSA-N
MW262.14 g/mol
LogP2.41
Rot. Bonds1

About 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride

4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 70448730) has the molecular formula C11H13Cl2NO2 and a molecular weight of 262.14 g/mol. Its IUPAC name is 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID70448730
Molecular FormulaC11H13Cl2NO2
Molecular Weight262.14 g/mol
Exact Mass261.03
IUPAC Name4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.NC1CC(C(=O)O)Cc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO2.ClH/c12-8-2-1-6-3-7(11(14)15)4-10(13)9(6)5-8;/h1-2,5,7,10H,3-4,13H2,(H,14,15);1H
InChIKeyCYUAGPYATXKCMA-UHFFFAOYSA-N
XLogP2.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.14
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride (CID 70448730) is 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is Cl.NC1CC(C(=O)O)Cc2ccc(Cl)cc21.
What is the InChIKey of 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is CYUAGPYATXKCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2.ClH/c12-8-2-1-6-3-7(11(14)15)4-10(13)9(6)5-8;/h1-2,5,7,10H,3-4,13H2,(H,14,15);1H.
What are the key properties of 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride?
4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 262.14 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 70448730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).