(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

C14H11Br2FN2O — CID 104944336

IUPAC(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ncc(Br)cc2Br)Oc2ccc(F)cc21
InChIInChI=1S/C14H11Br2FN2O/c15-7-3-10(16)14(19-6-7)13-5-11(18)9-4-8(17)1-2-12(9)20-13/h1-4,6,11,13H,5,18H2/t11-,13?/m1/s1
InChIKeyAWNSIFAXKFQZLO-JTDNENJMSA-N
MW402.06 g/mol
LogP4.27
Rot. Bonds1

About (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine

(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104944336) has the molecular formula C14H11Br2FN2O and a molecular weight of 402.06 g/mol. Its IUPAC name is (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104944336
Molecular FormulaC14H11Br2FN2O
Molecular Weight402.06 g/mol
Exact Mass399.92
IUPAC Name(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ncc(Br)cc2Br)Oc2ccc(F)cc21
InChIInChI=1S/C14H11Br2FN2O/c15-7-3-10(16)14(19-6-7)13-5-11(18)9-4-8(17)1-2-12(9)20-13/h1-4,6,11,13H,5,18H2/t11-,13?/m1/s1
InChIKeyAWNSIFAXKFQZLO-JTDNENJMSA-N
XLogP4.27
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.06
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-2-(3,5-dibromo-2-pyridinyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104946759
2-(3,5-dibromo-2-pyridinyl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114713579
2-(3,5-dibromo-2-pyridinyl)-6-fluoro-2,3-dihydrochromen-4-one
CID 114672108
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4S)-6-fluoro-2-(1,3-thiazol-5-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104944167
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947651
2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711947
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
6-chloro-2-(3,5-dibromo-2-pyridinyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711117
(4S)-2-(4-chloro-2-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104980311
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 104946405

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104944336) is (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ncc(Br)cc2Br)Oc2ccc(F)cc21.
What is the InChIKey of (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is AWNSIFAXKFQZLO-JTDNENJMSA-N. The full InChI is InChI=1S/C14H11Br2FN2O/c15-7-3-10(16)14(19-6-7)13-5-11(18)9-4-8(17)1-2-12(9)20-13/h1-4,6,11,13H,5,18H2/t11-,13?/m1/s1.
What are the key properties of (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 402.06 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104944336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).