8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol

C20H17ClN2O2 — CID 158485356

IUPAC8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol
SMILESNc1c(Cl)ccc2ccc(O)cc12.Nc1cccc2ccc(O)cc12
InChIInChI=1S/C10H8ClNO.C10H9NO/c11-9-4-2-6-1-3-7(13)5-8(6)10(9)12;11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-5,13H,12H2;1-6,12H,11H2
InChIKeyHIAJWKICMVFZQS-UHFFFAOYSA-N
MW352.82 g/mol
LogP4.91
Rot. Bonds

About 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol

8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol (PubChem CID 158485356) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol.

Molecular Properties

Compound Name8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol
PubChem CID158485356
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol
SMILESNc1c(Cl)ccc2ccc(O)cc12.Nc1cccc2ccc(O)cc12
InChIInChI=1S/C10H8ClNO.C10H9NO/c11-9-4-2-6-1-3-7(13)5-8(6)10(9)12;11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-5,13H,12H2;1-6,12H,11H2
InChIKeyHIAJWKICMVFZQS-UHFFFAOYSA-N
XLogP4.91
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-aminonaphthalen-2-ol;ethane
CID 91086643
2-chlorotetracen-1-amine
CID 175491990
8-amino-7-chloronaphthalen-2-ol;1-(2-chloro-7-hydroxynaphthalen-1-yl)-3-(3-phenylphenyl)urea;3-phenylaniline
CID 157457277
phenanthren-3-ol
CID 73057263
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
6-chloropicen-2-ol
CID 174251317
2-chloro-7-hydroxynaphthalene-1-carbonitrile
CID 150215593
8-aminonaphthalene-2-carboxylic acid
CID 13440887
7-amino-8-phenylnaphthalen-2-ol
CID 115057649
8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol
CID 135202316
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
dichloromethane;naphthalen-1-amine
CID 174958204

Frequently Asked Questions

What is the IUPAC name of 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol?
The IUPAC name of 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol (CID 158485356) is 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol.
What is the SMILES notation for 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol?
The canonical SMILES for 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol is Nc1c(Cl)ccc2ccc(O)cc12.Nc1cccc2ccc(O)cc12.
What is the InChIKey of 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol?
The InChIKey is HIAJWKICMVFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO.C10H9NO/c11-9-4-2-6-1-3-7(13)5-8(6)10(9)12;11-10-3-1-2-7-4-5-8(12)6-9(7)10/h1-5,13H,12H2;1-6,12H,11H2.
What are the key properties of 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol?
8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol has a molecular weight of 352.82 g/mol, XLogP of 4.91, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-7-chloronaphthalen-2-ol;8-aminonaphthalen-2-ol is sourced from PubChem (CID 158485356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).