(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid

C11H10ClNO3 — CID 82159346

IUPAC(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1C/C(=N/O)c2cc(Cl)ccc2C1
InChIInChI=1S/C11H10ClNO3/c12-8-2-1-6-3-7(11(14)15)4-10(13-16)9(6)5-8/h1-2,5,7,16H,3-4H2,(H,14,15)/b13-10-
InChIKeyJRIBNPKKTJPBBY-RAXLEYEMSA-N
MW239.66 g/mol
LogP2.17
Rot. Bonds1

About (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid

(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 82159346) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID82159346
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)C1C/C(=N/O)c2cc(Cl)ccc2C1
InChIInChI=1S/C11H10ClNO3/c12-8-2-1-6-3-7(11(14)15)4-10(13-16)9(6)5-8/h1-2,5,7,16H,3-4H2,(H,14,15)/b13-10-
InChIKeyJRIBNPKKTJPBBY-RAXLEYEMSA-N
XLogP2.17
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(6-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine
CID 91622608
(2E)-6-chloro-2-hydroxyimino-3H-inden-1-one
CID 91621228
4-amino-6-chloro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid;hydrochloride
CID 70448730
(3S)-7-chloro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
CID 7464521
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
CID 21260374
8-chloro-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-4-carboxylic acid
CID 83898641
(2S)-6-chloro-2-(4-chlorophenyl)-2,3-dihydroinden-1-one
CID 125481365
4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
CID 168771424
4-[3-(5-chloro-1-oxo-3-propan-2-yl-1-benzothiophen-2-yl)propanoyl]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 46931695
disodium;2,3-dihydro-1H-indene-2-carboxylic acid;hydride
CID 173251406
1-(4-chloro-2-fluorophenyl)piperidine-4-carboxylic acid
CID 156503762
N-(3-phenyl-3,4-dihydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 72727345

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid (CID 82159346) is (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid is O=C(O)C1C/C(=N/O)c2cc(Cl)ccc2C1.
What is the InChIKey of (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is JRIBNPKKTJPBBY-RAXLEYEMSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-8-2-1-6-3-7(11(14)15)4-10(13-16)9(6)5-8/h1-2,5,7,16H,3-4H2,(H,14,15)/b13-10-.
What are the key properties of (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid?
(4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-chloro-4-hydroxyimino-2,3-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 82159346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).