2-chloropyridine;3-(trifluoromethyl)-1H-indole

C14H10ClF3N2 — CID 158415901

IUPAC2-chloropyridine;3-(trifluoromethyl)-1H-indole
SMILESClc1ccccn1.FC(F)(F)c1c[nH]c2ccccc12
InChIInChI=1S/C9H6F3N.C5H4ClN/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;6-5-3-1-2-4-7-5/h1-5,13H;1-4H
InChIKeyGZWUNZFDLPCOMX-UHFFFAOYSA-N
MW298.70 g/mol
LogP4.92
Rot. Bonds

About 2-chloropyridine;3-(trifluoromethyl)-1H-indole

2-chloropyridine;3-(trifluoromethyl)-1H-indole (PubChem CID 158415901) has the molecular formula C14H10ClF3N2 and a molecular weight of 298.70 g/mol. Its IUPAC name is 2-chloropyridine;3-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name2-chloropyridine;3-(trifluoromethyl)-1H-indole
PubChem CID158415901
Molecular FormulaC14H10ClF3N2
Molecular Weight298.70 g/mol
Exact Mass298.05
IUPAC Name2-chloropyridine;3-(trifluoromethyl)-1H-indole
SMILESClc1ccccn1.FC(F)(F)c1c[nH]c2ccccc12
InChIInChI=1S/C9H6F3N.C5H4ClN/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;6-5-3-1-2-4-7-5/h1-5,13H;1-4H
InChIKeyGZWUNZFDLPCOMX-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.70
LogP ≤ 54.92
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

3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
CID 11586410
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
sodium;2-chloropyridine;hydride
CID 174250475
2-fluoro-2-(1H-indol-3-yl)propan-1-amine
CID 83853895
3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-indole
CID 139401317
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-methylimidazol-2-yl)ethanol
CID 41037811
(2S)-3-amino-1,1,1-trifluoro-2-(1H-indol-3-yl)propan-2-ol
CID 51922084
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498

Frequently Asked Questions

What is the IUPAC name of 2-chloropyridine;3-(trifluoromethyl)-1H-indole?
The IUPAC name of 2-chloropyridine;3-(trifluoromethyl)-1H-indole (CID 158415901) is 2-chloropyridine;3-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 2-chloropyridine;3-(trifluoromethyl)-1H-indole?
The canonical SMILES for 2-chloropyridine;3-(trifluoromethyl)-1H-indole is Clc1ccccn1.FC(F)(F)c1c[nH]c2ccccc12.
What is the InChIKey of 2-chloropyridine;3-(trifluoromethyl)-1H-indole?
The InChIKey is GZWUNZFDLPCOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N.C5H4ClN/c10-9(11,12)7-5-13-8-4-2-1-3-6(7)8;6-5-3-1-2-4-7-5/h1-5,13H;1-4H.
What are the key properties of 2-chloropyridine;3-(trifluoromethyl)-1H-indole?
2-chloropyridine;3-(trifluoromethyl)-1H-indole has a molecular weight of 298.70 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyridine;3-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 158415901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).