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

C15H14Br2N2O — CID 114711947

IUPAC2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Br)cc2Br)Oc2ccccc21
InChIInChI=1S/C15H14Br2N2O/c1-18-12-7-14(15-11(17)6-9(16)8-19-15)20-13-5-3-2-4-10(12)13/h2-6,8,12,14,18H,7H2,1H3
InChIKeyXAWWFZQXMJQNIQ-UHFFFAOYSA-N
MW398.10 g/mol
LogP4.39
Rot. Bonds2

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

2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711947) has the molecular formula C15H14Br2N2O and a molecular weight of 398.10 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711947
Molecular FormulaC15H14Br2N2O
Molecular Weight398.10 g/mol
Exact Mass395.95
IUPAC Name2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Br)cc2Br)Oc2ccccc21
InChIInChI=1S/C15H14Br2N2O/c1-18-12-7-14(15-11(17)6-9(16)8-19-15)20-13-5-3-2-4-10(12)13/h2-6,8,12,14,18H,7H2,1H3
InChIKeyXAWWFZQXMJQNIQ-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.10
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
2-(2-bromo-4-methylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712027
2-(5-bromo-2-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711974
2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
2-(2-bromophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712518
(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944336
(4S)-2-(3,5-dibromo-2-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946759
2-(2-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712012
2-(5-bromo-2-pyridinyl)-7-methoxy-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710902
2-(3,4-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114712078
7-bromo-2-(2,3-difluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711538

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711947) is 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ncc(Br)cc2Br)Oc2ccccc21.
What is the InChIKey of 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XAWWFZQXMJQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Br2N2O/c1-18-12-7-14(15-11(17)6-9(16)8-19-15)20-13-5-3-2-4-10(12)13/h2-6,8,12,14,18H,7H2,1H3.
What are the key properties of 2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 398.10 g/mol, XLogP of 4.39, 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)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).