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

C15H13Br2ClN2O — CID 114711117

IUPAC6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Br)cc2Br)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H13Br2ClN2O/c1-19-12-6-14(15-11(17)4-8(16)7-20-15)21-13-3-2-9(18)5-10(12)13/h2-5,7,12,14,19H,6H2,1H3
InChIKeyZAIIQLPITJTZGJ-UHFFFAOYSA-N
MW432.54 g/mol
LogP5.04
Rot. Bonds2

About 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine

6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114711117) has the molecular formula C15H13Br2ClN2O and a molecular weight of 432.54 g/mol. Its IUPAC name is 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
PubChem CID114711117
Molecular FormulaC15H13Br2ClN2O
Molecular Weight432.54 g/mol
Exact Mass429.91
IUPAC Name6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
SMILESCNC1CC(c2ncc(Br)cc2Br)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H13Br2ClN2O/c1-19-12-6-14(15-11(17)4-8(16)7-20-15)21-13-3-2-9(18)5-10(12)13/h2-5,7,12,14,19H,6H2,1H3
InChIKeyZAIIQLPITJTZGJ-UHFFFAOYSA-N
XLogP5.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.54
LogP ≤ 55.04
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
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
2-(5-bromo-2-fluorophenyl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711144
2-(2-bromo-5-chlorophenyl)-N,6-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 114712476
2-(3-bromothiophen-2-yl)-6-chloro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711217
7-bromo-2-(2-bromo-4-chlorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711700
6-chloro-N-methyl-2-pyridin-3-yl-3,4-dihydro-2H-chromen-4-amine
CID 114711145
6-chloro-2-(2,6-dimethylphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711207
6-bromo-2-(4-bromo-5-chlorothiophen-2-yl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846162
6-chloro-2-(4-chloro-3-fluorophenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711272
(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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine (CID 114711117) is 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is CNC1CC(c2ncc(Br)cc2Br)Oc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is ZAIIQLPITJTZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClN2O/c1-19-12-6-14(15-11(17)4-8(16)7-20-15)21-13-3-2-9(18)5-10(12)13/h2-5,7,12,14,19H,6H2,1H3.
What are the key properties of 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine?
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 432.54 g/mol, XLogP of 5.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114711117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).