(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol

C10H12BrNO — CID 126662449

IUPAC(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESC[C@H]1Nc2cc(Br)ccc2C[C@H]1O
InChIInChI=1S/C10H12BrNO/c1-6-10(13)4-7-2-3-8(11)5-9(7)12-6/h2-3,5-6,10,12-13H,4H2,1H3/t6-,10-/m1/s1
InChIKeyMJTIGQQPLXBWFO-LHLIQPBNSA-N
MW242.12 g/mol
LogP2.17
Rot. Bonds

About (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol

(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol (PubChem CID 126662449) has the molecular formula C10H12BrNO and a molecular weight of 242.12 g/mol. Its IUPAC name is (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol.

Molecular Properties

Compound Name(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
PubChem CID126662449
Molecular FormulaC10H12BrNO
Molecular Weight242.12 g/mol
Exact Mass241.01
IUPAC Name(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol
SMILESC[C@H]1Nc2cc(Br)ccc2C[C@H]1O
InChIInChI=1S/C10H12BrNO/c1-6-10(13)4-7-2-3-8(11)5-9(7)12-6/h2-3,5-6,10,12-13H,4H2,1H3/t6-,10-/m1/s1
InChIKeyMJTIGQQPLXBWFO-LHLIQPBNSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol?
The IUPAC name of (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol (CID 126662449) is (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol.
What is the SMILES notation for (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol?
The canonical SMILES for (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol is C[C@H]1Nc2cc(Br)ccc2C[C@H]1O.
What is the InChIKey of (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol?
The InChIKey is MJTIGQQPLXBWFO-LHLIQPBNSA-N. The full InChI is InChI=1S/C10H12BrNO/c1-6-10(13)4-7-2-3-8(11)5-9(7)12-6/h2-3,5-6,10,12-13H,4H2,1H3/t6-,10-/m1/s1.
What are the key properties of (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol?
(2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol has a molecular weight of 242.12 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-7-bromo-2-methyl-1,2,3,4-tetrahydroquinolin-3-ol is sourced from PubChem (CID 126662449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).