3-chloronaphthalene-2-carboxylic acid;hydrochloride

C11H8Cl2O2 — CID 69376423

IUPAC3-chloronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C11H7ClO2.ClH/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6H,(H,13,14);1H
InChIKeyFQGFSBGWHFIDNI-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.61
Rot. Bonds1

About 3-chloronaphthalene-2-carboxylic acid;hydrochloride

3-chloronaphthalene-2-carboxylic acid;hydrochloride (PubChem CID 69376423) has the molecular formula C11H8Cl2O2 and a molecular weight of 243.09 g/mol. Its IUPAC name is 3-chloronaphthalene-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-chloronaphthalene-2-carboxylic acid;hydrochloride
PubChem CID69376423
Molecular FormulaC11H8Cl2O2
Molecular Weight243.09 g/mol
Exact Mass241.99
IUPAC Name3-chloronaphthalene-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)c1cc2ccccc2cc1Cl
InChIInChI=1S/C11H7ClO2.ClH/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6H,(H,13,14);1H
InChIKeyFQGFSBGWHFIDNI-UHFFFAOYSA-N
XLogP3.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloronaphthalen-2-yl)ethanone
CID 131563737
3-carboniodidoylnaphthalene-2-carboxylic acid
CID 154947844
3-chloro-N-methylnaphthalene-2-carboxamide
CID 133063253
3-iodonaphthalene-2-carboxylic acid
CID 11460714
CID 69256301
CID 69256301
anthracene;naphthalene-1,4,5,8-tetracarboxylic acid
CID 160688323
tert-butyl 3-chloronaphthalene-2-carboxylate
CID 133063668
ethyl 3-chloronaphthalene-2-carboxylate
CID 90487598
2-chloro-4,5-difluorobenzoic acid;hydrochloride
CID 67860765
zinc;bis(3-carboxynaphthalen-2-olate);dihydrate
CID 54706140
2-chloro-4-phenylbenzoic acid
CID 21487426
calcium;bis(3-carboxynaphthalen-2-olate);trihydrate
CID 54746328

Frequently Asked Questions

What is the IUPAC name of 3-chloronaphthalene-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-chloronaphthalene-2-carboxylic acid;hydrochloride (CID 69376423) is 3-chloronaphthalene-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-chloronaphthalene-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-chloronaphthalene-2-carboxylic acid;hydrochloride is Cl.O=C(O)c1cc2ccccc2cc1Cl.
What is the InChIKey of 3-chloronaphthalene-2-carboxylic acid;hydrochloride?
The InChIKey is FQGFSBGWHFIDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClO2.ClH/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;/h1-6H,(H,13,14);1H.
What are the key properties of 3-chloronaphthalene-2-carboxylic acid;hydrochloride?
3-chloronaphthalene-2-carboxylic acid;hydrochloride has a molecular weight of 243.09 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloronaphthalene-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 69376423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).