6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one

C10H7BrN2O3 — CID 90809598

IUPAC6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one
SMILES[H]/N=N/Cc1cc(=O)oc2cc(O)c(Br)cc12
InChIInChI=1S/C10H7BrN2O3/c11-7-2-6-5(4-13-12)1-10(15)16-9(6)3-8(7)14/h1-3,12,14H,4H2/b13-12+
InChIKeySWVZSLBSQFQQQO-OUKQBFOZSA-N
MW283.08 g/mol
LogP2.79
Rot. Bonds2

About 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one

6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one (PubChem CID 90809598) has the molecular formula C10H7BrN2O3 and a molecular weight of 283.08 g/mol. Its IUPAC name is 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one
PubChem CID90809598
Molecular FormulaC10H7BrN2O3
Molecular Weight283.08 g/mol
Exact Mass281.96
IUPAC Name6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one
SMILES[H]/N=N/Cc1cc(=O)oc2cc(O)c(Br)cc12
InChIInChI=1S/C10H7BrN2O3/c11-7-2-6-5(4-13-12)1-10(15)16-9(6)3-8(7)14/h1-3,12,14H,4H2/b13-12+
InChIKeySWVZSLBSQFQQQO-OUKQBFOZSA-N
XLogP2.79
TPSA86.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.08
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

6-bromo-7-hydroxy-4-propylchromen-2-one
CID 169006573
6-bromo-7-hydroxy-4-propan-2-ylchromen-2-one
CID 147050060
2,4-dibromo-6-(diazenylmethyl)phenol
CID 67749909
2-(6-amino-7-hydroxy-2-oxochromen-4-yl)acetic acid
CID 11425736
(6-bromo-7-hydroxy-2-oxochromen-4-yl)methyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
CID 177489681
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
4-ethyl-7-hydroxy-6-methoxychromen-2-one
CID 119087961
6,7-dihydroxy-4-[2-(2-methoxyethoxy)ethoxymethyl]chromen-2-one
CID 19006503
6,7-dihydroxy-4-(morpholin-4-ium-4-ylmethyl)chromen-2-one
CID 6918978
2,3-bis[[12-[(6-bromo-7-hydroxy-2-oxochromen-4-yl)methoxy]-12-oxododecyl]carbamoyloxy]propyl-trimethylazanium
CID 11389166
2-bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 42600759
7-hydroxy-6-methoxy-4-propylchromen-2-one
CID 125486697

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one?
The IUPAC name of 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one (CID 90809598) is 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one?
The canonical SMILES for 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one is [H]/N=N/Cc1cc(=O)oc2cc(O)c(Br)cc12.
What is the InChIKey of 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one?
The InChIKey is SWVZSLBSQFQQQO-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H7BrN2O3/c11-7-2-6-5(4-13-12)1-10(15)16-9(6)3-8(7)14/h1-3,12,14H,4H2/b13-12+.
What are the key properties of 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one?
6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one has a molecular weight of 283.08 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(diazenylmethyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 90809598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).