7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

C9H10BrClFN — CID 71756045

IUPAC7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cc(Br)cc2c1CCNC2
InChIInChI=1S/C9H9BrFN.ClH/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H
InChIKeyPQPDPAVGKHGJNI-UHFFFAOYSA-N
MW266.54 g/mol
LogP2.66
Rot. Bonds

About 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride

7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (PubChem CID 71756045) has the molecular formula C9H10BrClFN and a molecular weight of 266.54 g/mol. Its IUPAC name is 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.

Molecular Properties

Compound Name7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
PubChem CID71756045
Molecular FormulaC9H10BrClFN
Molecular Weight266.54 g/mol
Exact Mass264.97
IUPAC Name7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride
SMILESCl.Fc1cc(Br)cc2c1CCNC2
InChIInChI=1S/C9H9BrFN.ClH/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H
InChIKeyPQPDPAVGKHGJNI-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 10729255
8-Bromo-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 44363154
5-Bromo-1,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline
CID 5067706
7-Bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline
CID 44405495
6-Bromo-1,2,3,4-tetrahydroisoquinoline
CID 15885183
3-Trifluoromethyl-7-bromo-1,2,3,4-tetrahydroisoquinoline
CID 10401405
7-Bromo-3-(fluoromethyl)-1,2,3,4-tetrahydroisoquinoline
CID 10514405
(R)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10610273
(S)-7-Bromo-3-fluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10776652
8-Bromo-4-fluoro-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 10933703
7-Bromo-3-difluoromethyl-1,2,3,4-tetrahydro-isoquinoline
CID 11500379
7-Bromo-3-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 44405498

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The IUPAC name of 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride (CID 71756045) is 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride.
What is the SMILES notation for 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The canonical SMILES for 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is Cl.Fc1cc(Br)cc2c1CCNC2.
What is the InChIKey of 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
The InChIKey is PQPDPAVGKHGJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFN.ClH/c10-7-3-6-5-12-2-1-8(6)9(11)4-7;/h3-4,12H,1-2,5H2;1H.
What are the key properties of 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride?
7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride has a molecular weight of 266.54 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinoline;hydrochloride is sourced from PubChem (CID 71756045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).