2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

C15H13Br2FN2O — CID 114713579

IUPAC2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Br)cc2Br)Oc2cc(F)ccc21
InChIInChI=1S/C15H13Br2FN2O/c1-19-12-6-14(15-11(17)4-8(16)7-20-15)21-13-5-9(18)2-3-10(12)13/h2-5,7,12,14,19H,6H2,1H3
InChIKeyPVTVRXNYLXAHLO-UHFFFAOYSA-N
MW416.09 g/mol
LogP4.53
Rot. Bonds2

About 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine

2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114713579) has the molecular formula C15H13Br2FN2O and a molecular weight of 416.09 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114713579
Molecular FormulaC15H13Br2FN2O
Molecular Weight416.09 g/mol
Exact Mass413.94
IUPAC Name2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Br)cc2Br)Oc2cc(F)ccc21
InChIInChI=1S/C15H13Br2FN2O/c1-19-12-6-14(15-11(17)4-8(16)7-20-15)21-13-5-9(18)2-3-10(12)13/h2-5,7,12,14,19H,6H2,1H3
InChIKeyPVTVRXNYLXAHLO-UHFFFAOYSA-N
XLogP4.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.09
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711947
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944336
2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
2-(3-bromo-4-chlorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713681
7-fluoro-N-methyl-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713682
7-fluoro-N-methyl-2-(4-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114713701
2-(4-chloro-2-fluorophenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114868444
2-(3,4-dimethylphenyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713618
2-(2-bromo-4-methylphenyl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710507
7-fluoro-N-methyl-2-thiophen-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114713662
7-fluoro-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114713739

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114713579) is 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ncc(Br)cc2Br)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is PVTVRXNYLXAHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2FN2O/c1-19-12-6-14(15-11(17)4-8(16)7-20-15)21-13-5-9(18)2-3-10(12)13/h2-5,7,12,14,19H,6H2,1H3.
What are the key properties of 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 416.09 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114713579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).