7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline

C10H11FN2O2 — CID 168967020

IUPAC7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
SMILESCc1c2c(cc(F)c1[N+](=O)[O-])CNCC2
InChIInChI=1S/C10H11FN2O2/c1-6-8-2-3-12-5-7(8)4-9(11)10(6)13(14)15/h4,12H,2-3,5H2,1H3
InChIKeyMLJZCQNGNBIULF-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.69
Rot. Bonds1

About 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline

7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline (PubChem CID 168967020) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
PubChem CID168967020
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline
SMILESCc1c2c(cc(F)c1[N+](=O)[O-])CNCC2
InChIInChI=1S/C10H11FN2O2/c1-6-8-2-3-12-5-7(8)4-9(11)10(6)13(14)15/h4,12H,2-3,5H2,1H3
InChIKeyMLJZCQNGNBIULF-UHFFFAOYSA-N
XLogP1.69
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,6,7-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 137470478
6-methoxy-5-nitro-1,2,3,4-tetrahydroisoquinoline
CID 59585598
ethane;7-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145372798
5-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 59370482
2,5-difluoro-3-methyl-4-nitrobenzoic acid
CID 23284780
5-methyl-8-nitro-1,2,3,4-tetrahydroisoquinoline
CID 70281218
4-fluoro-N,2-dimethyl-3-nitroaniline
CID 131053180
1-(4-fluoro-2,6-dimethyl-3-nitrophenyl)sulfonylimidazolidin-2-one
CID 107326949
6-fluoro-3,3-dimethyl-7-nitro-1,2-dihydroisoindole
CID 135350410
3-fluoro-6-nitrobicyclo[3.1.1]hepta-1,3,5-triene;hydrate
CID 175193181
(4-fluoro-2-methyl-3-nitrophenyl)carbamic acid
CID 174969971
3,5-difluoro-2-methoxy-4-nitroaniline
CID 138109611

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline (CID 168967020) is 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline is Cc1c2c(cc(F)c1[N+](=O)[O-])CNCC2.
What is the InChIKey of 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MLJZCQNGNBIULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c1-6-8-2-3-12-5-7(8)4-9(11)10(6)13(14)15/h4,12H,2-3,5H2,1H3.
What are the key properties of 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline?
7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 210.21 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-methyl-6-nitro-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 168967020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).