methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate

C11H11BrFNO3 — CID 82046162

IUPACmethyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c(Br)cc(F)cc21
InChIInChI=1S/C11H11BrFNO3/c1-16-10(15)11(14)2-3-17-9-7(11)4-6(13)5-8(9)12/h4-5H,2-3,14H2,1H3
InChIKeyXZIAEVWTLGGUPV-UHFFFAOYSA-N
MW304.12 g/mol
LogP1.70
Rot. Bonds1

About methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate

methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate (PubChem CID 82046162) has the molecular formula C11H11BrFNO3 and a molecular weight of 304.12 g/mol. Its IUPAC name is methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate
PubChem CID82046162
Molecular FormulaC11H11BrFNO3
Molecular Weight304.12 g/mol
Exact Mass302.99
IUPAC Namemethyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate
SMILESCOC(=O)C1(N)CCOc2c(Br)cc(F)cc21
InChIInChI=1S/C11H11BrFNO3/c1-16-10(15)11(14)2-3-17-9-7(11)4-6(13)5-8(9)12/h4-5H,2-3,14H2,1H3
InChIKeyXZIAEVWTLGGUPV-UHFFFAOYSA-N
XLogP1.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-6-bromo-8-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046170
methyl 4-amino-6-chloro-8-methyl-2,3-dihydrochromene-4-carboxylate
CID 82046164
methyl 4-amino-7,8-dimethyl-2,3-dihydrochromene-4-carboxylate
CID 82046154
methyl 4-amino-2,3-dihydrobenzo[h]chromene-4-carboxylate
CID 82046178
methyl 4-(2,5-difluoro-3-methoxyphenyl)oxane-4-carboxylate
CID 11403422
methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
CID 83913309
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
CID 170760150
4-amino-6-(carboxymethyl)-8-methoxy-2,3-dihydrochromene-4-carboxylic acid
CID 165344275
1-(3-bromo-5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117462812
methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate?
The IUPAC name of methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate (CID 82046162) is methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate.
What is the SMILES notation for methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate?
The canonical SMILES for methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate is COC(=O)C1(N)CCOc2c(Br)cc(F)cc21.
What is the InChIKey of methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate?
The InChIKey is XZIAEVWTLGGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO3/c1-16-10(15)11(14)2-3-17-9-7(11)4-6(13)5-8(9)12/h4-5H,2-3,14H2,1H3.
What are the key properties of methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate?
methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate has a molecular weight of 304.12 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate is sourced from PubChem (CID 82046162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).