4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one

C10H6Cl2NO4- — CID 163140213

IUPAC4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one
SMILESCc1cc2oc(=O)c(N([O-])O)c(Cl)c2cc1Cl
InChIInChI=1S/C10H6Cl2NO4/c1-4-2-7-5(3-6(4)11)8(12)9(13(15)16)10(14)17-7/h2-3,15H,1H3/q-1
InChIKeyCBQGJDGAVRKOLW-UHFFFAOYSA-N
MW275.07 g/mol
LogP3.10
Rot. Bonds1

About 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one

4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one (PubChem CID 163140213) has the molecular formula C10H6Cl2NO4- and a molecular weight of 275.07 g/mol. Its IUPAC name is 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one.

Molecular Properties

Compound Name4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one
PubChem CID163140213
Molecular FormulaC10H6Cl2NO4-
Molecular Weight275.07 g/mol
Exact Mass273.97
IUPAC Name4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one
SMILESCc1cc2oc(=O)c(N([O-])O)c(Cl)c2cc1Cl
InChIInChI=1S/C10H6Cl2NO4/c1-4-2-7-5(3-6(4)11)8(12)9(13(15)16)10(14)17-7/h2-3,15H,1H3/q-1
InChIKeyCBQGJDGAVRKOLW-UHFFFAOYSA-N
XLogP3.10
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.07
LogP ≤ 53.10
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-chloro-3-[hydroxy(oxido)amino]-6-methylchromen-2-one
CID 163132795
2-chloro-8-methoxy-3-methylbenzo[c]chromen-6-one
CID 167583154
6-chloro-4-[[ethyl(2-methylprop-2-enyl)amino]methyl]-7-methylchromen-2-one
CID 78787562
6-chloro-4-(4-chlorophenyl)-3-(4-methoxyphenyl)-7-methylchromen-2-one
CID 3563283
6-chloro-4-hydroxy-7-methyl-3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]chromen-2-one
CID 54689753
3-(dihydroxyamino)-6-methyl-2-oxochromen-4-olate
CID 163125433
6-chloro-3-methoxy-7-methyl-2-(4-methylphenyl)chromen-4-one
CID 7747630
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 110280223
N-(4-chloro-3-methylphenyl)-N-oxidohydroxylamine
CID 163146567
2-chloro-3-hydroxy-8-methylbenzo[c]chromen-6-one
CID 167609389
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methoxyacetate
CID 7775949
1,2,4,7-tetrachloro-8-methyldibenzofuran
CID 526437

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one?
The IUPAC name of 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one (CID 163140213) is 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one.
What is the SMILES notation for 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one?
The canonical SMILES for 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one is Cc1cc2oc(=O)c(N([O-])O)c(Cl)c2cc1Cl.
What is the InChIKey of 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one?
The InChIKey is CBQGJDGAVRKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2NO4/c1-4-2-7-5(3-6(4)11)8(12)9(13(15)16)10(14)17-7/h2-3,15H,1H3/q-1.
What are the key properties of 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one?
4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one has a molecular weight of 275.07 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-3-[hydroxy(oxido)amino]-7-methylchromen-2-one is sourced from PubChem (CID 163140213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).