methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium

C11H6BrClFN2O2Rh- — CID 166165348

IUPACmethyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium
SMILESCOC(=O)[CH-]c1ncnc2c(F)c(Br)c(Cl)cc12.[Rh]
InChIInChI=1S/C11H6BrClFN2O2.Rh/c1-18-8(17)3-7-5-2-6(13)9(12)10(14)11(5)16-4-15-7;/h2-4H,1H3;/q-1;
InChIKeyMIXCCHNPHPROBZ-UHFFFAOYSA-N
MW435.44 g/mol
LogP2.91
Rot. Bonds2

About methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium

methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium (PubChem CID 166165348) has the molecular formula C11H6BrClFN2O2Rh- and a molecular weight of 435.44 g/mol. Its IUPAC name is methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium.

Molecular Properties

Compound Namemethyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium
PubChem CID166165348
Molecular FormulaC11H6BrClFN2O2Rh-
Molecular Weight435.44 g/mol
Exact Mass433.83
IUPAC Namemethyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium
SMILESCOC(=O)[CH-]c1ncnc2c(F)c(Br)c(Cl)cc12.[Rh]
InChIInChI=1S/C11H6BrClFN2O2.Rh/c1-18-8(17)3-7-5-2-6(13)9(12)10(14)11(5)16-4-15-7;/h2-4H,1H3;/q-1;
InChIKeyMIXCCHNPHPROBZ-UHFFFAOYSA-N
XLogP2.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium?
The IUPAC name of methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium (CID 166165348) is methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium.
What is the SMILES notation for methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium?
The canonical SMILES for methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium is COC(=O)[CH-]c1ncnc2c(F)c(Br)c(Cl)cc12.[Rh].
What is the InChIKey of methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium?
The InChIKey is MIXCCHNPHPROBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClFN2O2.Rh/c1-18-8(17)3-7-5-2-6(13)9(12)10(14)11(5)16-4-15-7;/h2-4H,1H3;/q-1;.
What are the key properties of methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium?
methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium has a molecular weight of 435.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-6-chloro-8-fluoroquinazolin-4-yl)acetate;rhodium is sourced from PubChem (CID 166165348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).