2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline

C11H5F3N2 — CID 137225246

IUPAC2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline
SMILESFc1[nH]c2c(ccc3nccc32)c(F)c1F
InChIInChI=1S/C11H5F3N2/c12-8-6-1-2-7-5(3-4-15-7)10(6)16-11(14)9(8)13/h1-4,16H
InChIKeyXHOLMKXLBLWMCK-UHFFFAOYSA-N
MW222.17 g/mol
LogP3.13
Rot. Bonds

About 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline

2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline (PubChem CID 137225246) has the molecular formula C11H5F3N2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline.

Molecular Properties

Compound Name2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline
PubChem CID137225246
Molecular FormulaC11H5F3N2
Molecular Weight222.17 g/mol
Exact Mass222.04
IUPAC Name2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline
SMILESFc1[nH]c2c(ccc3nccc32)c(F)c1F
InChIInChI=1S/C11H5F3N2/c12-8-6-1-2-7-5(3-4-15-7)10(6)16-11(14)9(8)13/h1-4,16H
InChIKeyXHOLMKXLBLWMCK-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

7H-pyrrolo[3,2-f]quinoxaline
CID 135788037
4,5-Dihydropyrroloquinoxaline
CID 138756856
Trifluoromethylpyrroloquinoline
CID 137225245
2-(fluoromethyl)-1H-pyrrolo[2,3-h]quinoline
CID 141446873
2-(trifluoromethyl)-1H-pyrrolo[2,3-h]quinolin-7-ium
CID 174794836
3-(trifluoromethyl)-2H-indol-6-amine
CID 129601470
Tetrafluoroazoloquinoline
CID 137182743
2-chloro-1H-pyrrolo[3,2-f]quinoxaline
CID 136438310
4H-pyrrolo[3,2-f]quinoxalin-1-ium
CID 136890035
2-Methylpyrroloquinoline
CID 137183816
2-prop-2-enyl-1H-pyrrolo[2,3-h]quinoline
CID 140710850
2,7-Diazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),5,8-pentaen-10-imine
CID 142430074

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline?
The IUPAC name of 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline (CID 137225246) is 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline.
What is the SMILES notation for 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline?
The canonical SMILES for 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline is Fc1[nH]c2c(ccc3nccc32)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline?
The InChIKey is XHOLMKXLBLWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2/c12-8-6-1-2-7-5(3-4-15-7)10(6)16-11(14)9(8)13/h1-4,16H.
What are the key properties of 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline?
2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline has a molecular weight of 222.17 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-1H-pyrrolo[2,3-h]quinoline is sourced from PubChem (CID 137225246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).