6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine

C14H8ClF3N2 — CID 146326550

IUPAC6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine
SMILESFC(F)(F)c1ccccc1-c1cc2cnc(Cl)cc2[nH]1
InChIInChI=1S/C14H8ClF3N2/c15-13-6-11-8(7-19-13)5-12(20-11)9-3-1-2-4-10(9)14(16,17)18/h1-7,20H
InChIKeyLEKPWZVPGGRPHJ-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.90
Rot. Bonds1

About 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine

6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine (PubChem CID 146326550) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine
PubChem CID146326550
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine
SMILESFC(F)(F)c1ccccc1-c1cc2cnc(Cl)cc2[nH]1
InChIInChI=1S/C14H8ClF3N2/c15-13-6-11-8(7-19-13)5-12(20-11)9-3-1-2-4-10(9)14(16,17)18/h1-7,20H
InChIKeyLEKPWZVPGGRPHJ-UHFFFAOYSA-N
XLogP4.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.90
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

6-chloro-2-[2-(difluoromethyl)-4,5-difluorophenyl]-1H-pyrrolo[3,2-c]pyridine
CID 167147099
4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
3,5-dichloro-2-[2-(trifluoromethyl)phenyl]pyridine
CID 134623597
2,5-dichloro-4-(trifluoromethyl)pyridine
CID 26986016
5-chloro-2-[2-(trifluoromethyl)phenyl]-1,3-oxazole
CID 117258904
2-chloro-4-tetraphenylen-2-yl-5-(trifluoromethyl)pyridine
CID 164939632
5,6-dichloro-2-[2-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridine
CID 103977488
2-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]-1H-indol-6-yl]-1,2,4-triazole-3-carboxamide
CID 142414626
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]-1H-pyridin-2-one
CID 106516768
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-chloro-2-ethyl-6-[2-(trifluoromethyl)phenyl]pyrimidine
CID 80935852

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine (CID 146326550) is 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine is FC(F)(F)c1ccccc1-c1cc2cnc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is LEKPWZVPGGRPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c15-13-6-11-8(7-19-13)5-12(20-11)9-3-1-2-4-10(9)14(16,17)18/h1-7,20H.
What are the key properties of 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine?
6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 296.68 g/mol, XLogP of 4.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 146326550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).