(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid

C10H10BrNO3 — CID 131275088

IUPAC(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESN[C@@H]1CCOc2c(Br)cc(C(=O)O)cc21
InChIInChI=1S/C10H10BrNO3/c11-7-4-5(10(13)14)3-6-8(12)1-2-15-9(6)7/h3-4,8H,1-2,12H2,(H,13,14)/t8-/m1/s1
InChIKeyPQHGLGDCKRAAAR-MRVPVSSYSA-N
MW272.10 g/mol
LogP1.93
Rot. Bonds1

About (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid

(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid (PubChem CID 131275088) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
PubChem CID131275088
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid
SMILESN[C@@H]1CCOc2c(Br)cc(C(=O)O)cc21
InChIInChI=1S/C10H10BrNO3/c11-7-4-5(10(13)14)3-6-8(12)1-2-15-9(6)7/h3-4,8H,1-2,12H2,(H,13,14)/t8-/m1/s1
InChIKeyPQHGLGDCKRAAAR-MRVPVSSYSA-N
XLogP1.93
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-6,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 67303952
(4R)-8-bromo-6-tert-butyl-3,4-dihydro-2H-chromen-4-amine
CID 131380800
(4R)-8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 103693937
(4S)-8-bromo-6-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131600145
7-bromo-2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 83899521
(4R)-4-amino-6-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid;hydrochloride
CID 171252439
(4S)-6-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252186
(4S)-4-amino-8-methyl-3,4-dihydro-2H-chromene-7-carboxylic acid
CID 171252203
(4R)-8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 91844828
8-bromo-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 71432700
7-bromo-1,3-benzodioxole-5-carboxylic acid
CID 4739141
(3aR,8bR)-5-bromo-3a-methyl-1,2,3,8b-tetrahydrocyclopenta[b][1]benzofuran-7-carboxylic acid
CID 118096814

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid?
The IUPAC name of (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid (CID 131275088) is (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid.
What is the SMILES notation for (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid?
The canonical SMILES for (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid is N[C@@H]1CCOc2c(Br)cc(C(=O)O)cc21.
What is the InChIKey of (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid?
The InChIKey is PQHGLGDCKRAAAR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-7-4-5(10(13)14)3-6-8(12)1-2-15-9(6)7/h3-4,8H,1-2,12H2,(H,13,14)/t8-/m1/s1.
What are the key properties of (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid?
(4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid has a molecular weight of 272.10 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-8-bromo-3,4-dihydro-2H-chromene-6-carboxylic acid is sourced from PubChem (CID 131275088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).