3-amino-8-chloro-4-hydroxychromen-2-one

C9H6ClNO3 — CID 130018302

IUPAC3-amino-8-chloro-4-hydroxychromen-2-one
SMILESNc1c(O)c2cccc(Cl)c2oc1=O
InChIInChI=1S/C9H6ClNO3/c10-5-3-1-2-4-7(12)6(11)9(13)14-8(4)5/h1-3,12H,11H2
InChIKeySBVYIUNRFSKHMX-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.73
Rot. Bonds

About 3-amino-8-chloro-4-hydroxychromen-2-one

3-amino-8-chloro-4-hydroxychromen-2-one (PubChem CID 130018302) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 3-amino-8-chloro-4-hydroxychromen-2-one.

Molecular Properties

Compound Name3-amino-8-chloro-4-hydroxychromen-2-one
PubChem CID130018302
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name3-amino-8-chloro-4-hydroxychromen-2-one
SMILESNc1c(O)c2cccc(Cl)c2oc1=O
InChIInChI=1S/C9H6ClNO3/c10-5-3-1-2-4-7(12)6(11)9(13)14-8(4)5/h1-3,12H,11H2
InChIKeySBVYIUNRFSKHMX-UHFFFAOYSA-N
XLogP1.73
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[(8-chloro-4-hydroxy-2-oxochromen-3-yl)methylideneamino]benzoate
CID 135970798
8-chloro-1,3-benzoxazine-2,4-dione
CID 11571962
2,7-dichloro-1-benzofuran-3-carboxylic acid
CID 83823886
3-amino-4-hydroxy-5,8-dimethylchromen-2-one
CID 82371893
3-amino-4,7-dihydroxychromen-2-one
CID 54691343
3-[(2,6-dichlorophenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one
CID 171352988
2-amino-3-chlorophenol
CID 19828962
4,8-dihydroxy-3-phenylchromen-2-one
CID 54721333
2-[[8-(2-chlorophenyl)-4-hydroxy-2-oxochromene-3-carbonyl]amino]acetic acid
CID 54734815
8-chloro-4H-[1]benzofuro[2,3-c]pyridine-1,3-dione
CID 159149319
7-chloro-4-hydroxybenzo[h]chromen-2-one
CID 131865681
4-(bromomethyl)-5-chloroxanthen-9-one
CID 14519936

Frequently Asked Questions

What is the IUPAC name of 3-amino-8-chloro-4-hydroxychromen-2-one?
The IUPAC name of 3-amino-8-chloro-4-hydroxychromen-2-one (CID 130018302) is 3-amino-8-chloro-4-hydroxychromen-2-one.
What is the SMILES notation for 3-amino-8-chloro-4-hydroxychromen-2-one?
The canonical SMILES for 3-amino-8-chloro-4-hydroxychromen-2-one is Nc1c(O)c2cccc(Cl)c2oc1=O.
What is the InChIKey of 3-amino-8-chloro-4-hydroxychromen-2-one?
The InChIKey is SBVYIUNRFSKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c10-5-3-1-2-4-7(12)6(11)9(13)14-8(4)5/h1-3,12H,11H2.
What are the key properties of 3-amino-8-chloro-4-hydroxychromen-2-one?
3-amino-8-chloro-4-hydroxychromen-2-one has a molecular weight of 211.60 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-8-chloro-4-hydroxychromen-2-one is sourced from PubChem (CID 130018302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).