4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one

C10H7ClNO4- — CID 163132795

IUPAC4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(N([O-])O)c(Cl)c2c1
InChIInChI=1S/C10H7ClNO4/c1-5-2-3-7-6(4-5)8(11)9(12(14)15)10(13)16-7/h2-4,14H,1H3/q-1
InChIKeyWOUIMSCNLBCNAV-UHFFFAOYSA-N
MW240.62 g/mol
LogP2.45
Rot. Bonds1

About 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one

4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one (PubChem CID 163132795) has the molecular formula C10H7ClNO4- and a molecular weight of 240.62 g/mol. Its IUPAC name is 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one.

Molecular Properties

Compound Name4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
PubChem CID163132795
Molecular FormulaC10H7ClNO4-
Molecular Weight240.62 g/mol
Exact Mass240.01
IUPAC Name4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
SMILESCc1ccc2oc(=O)c(N([O-])O)c(Cl)c2c1
InChIInChI=1S/C10H7ClNO4/c1-5-2-3-7-6(4-5)8(11)9(12(14)15)10(13)16-7/h2-4,14H,1H3/q-1
InChIKeyWOUIMSCNLBCNAV-UHFFFAOYSA-N
XLogP2.45
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.62
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one
CID 163140213
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
CID 163125433
3-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 82394773
3-chloro-2,5-dimethyl-1-benzofuran
CID 90163019
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
4-hydroxy-6-methyl-3-(methyliminomethyl)chromen-2-one
CID 136698388
3-acetyl-4-hydroxy-9-methylpyrano[3,2-c]chromene-2,5-dione
CID 155521439
3-(dihydroxyamino)-6-methoxy-2-oxochromen-4-olate
CID 163117362
7-amino-8-hydroxy-2-methylbenzo[c]chromen-6-one
CID 14631583
3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxy-6-methylchromen-2-one
CID 137306635
4-chloro-7-methyl-2-oxochromene-3-carbaldehyde
CID 15372644

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one?
The IUPAC name of 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one (CID 163132795) is 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one.
What is the SMILES notation for 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one?
The canonical SMILES for 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one is Cc1ccc2oc(=O)c(N([O-])O)c(Cl)c2c1.
What is the InChIKey of 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one?
The InChIKey is WOUIMSCNLBCNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClNO4/c1-5-2-3-7-6(4-5)8(11)9(12(14)15)10(13)16-7/h2-4,14H,1H3/q-1.
What are the key properties of 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one?
4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one has a molecular weight of 240.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one is sourced from PubChem (CID 163132795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).