(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

C14H12BrFN2O — CID 104947651

IUPAC(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2cncc(Br)c2)Oc2cc(F)ccc21
InChIInChI=1S/C14H12BrFN2O/c15-9-3-8(6-18-7-9)13-5-12(17)11-2-1-10(16)4-14(11)19-13/h1-4,6-7,12-13H,5,17H2/t12-,13?/m0/s1
InChIKeyUSPFPRKQHXNRFX-UEWDXFNNSA-N
MW323.17 g/mol
LogP3.51
Rot. Bonds1

About (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine

(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947651) has the molecular formula C14H12BrFN2O and a molecular weight of 323.17 g/mol. Its IUPAC name is (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947651
Molecular FormulaC14H12BrFN2O
Molecular Weight323.17 g/mol
Exact Mass322.01
IUPAC Name(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@H]1CC(c2cncc(Br)c2)Oc2cc(F)ccc21
InChIInChI=1S/C14H12BrFN2O/c15-9-3-8(6-18-7-9)13-5-12(17)11-2-1-10(16)4-14(11)19-13/h1-4,6-7,12-13H,5,17H2/t12-,13?/m0/s1
InChIKeyUSPFPRKQHXNRFX-UEWDXFNNSA-N
XLogP3.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
7-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-amine
CID 114710334
(4S)-2-(4-cyclopropylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947762
4-[(4S)-4-amino-7-fluoro-3,4-dihydro-2H-chromen-2-yl]-2,6-dimethylphenol
CID 104947690
(4R)-7-fluoro-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947898
(4R)-7-bromo-2-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945572
(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947998
7-bromo-2-(3-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709292
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 102846179
(4S)-2-(2,3-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947604
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4R)-2-(3,5-dibromo-2-pyridinyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944336

Frequently Asked Questions

What is the IUPAC name of (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine (CID 104947651) is (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is N[C@H]1CC(c2cncc(Br)c2)Oc2cc(F)ccc21.
What is the InChIKey of (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is USPFPRKQHXNRFX-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H12BrFN2O/c15-9-3-8(6-18-7-9)13-5-12(17)11-2-1-10(16)4-14(11)19-13/h1-4,6-7,12-13H,5,17H2/t12-,13?/m0/s1.
What are the key properties of (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine?
(4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 323.17 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-(5-bromo-3-pyridinyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).