6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole

C15H10ClF3N2O — CID 141247106

IUPAC6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESCOc1cnccc1-c1cc2cc(C(F)(F)F)c(Cl)cc2[nH]1
InChIInChI=1S/C15H10ClF3N2O/c1-22-14-7-20-3-2-9(14)13-5-8-4-10(15(17,18)19)11(16)6-12(8)21-13/h2-7,21H,1H3
InChIKeyJRHCJYQPQBTRIT-UHFFFAOYSA-N
MW326.71 g/mol
LogP4.91
Rot. Bonds2

About 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole

6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (PubChem CID 141247106) has the molecular formula C15H10ClF3N2O and a molecular weight of 326.71 g/mol. Its IUPAC name is 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
PubChem CID141247106
Molecular FormulaC15H10ClF3N2O
Molecular Weight326.71 g/mol
Exact Mass326.04
IUPAC Name6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
SMILESCOc1cnccc1-c1cc2cc(C(F)(F)F)c(Cl)cc2[nH]1
InChIInChI=1S/C15H10ClF3N2O/c1-22-14-7-20-3-2-9(14)13-5-8-4-10(15(17,18)19)11(16)6-12(8)21-13/h2-7,21H,1H3
InChIKeyJRHCJYQPQBTRIT-UHFFFAOYSA-N
XLogP4.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.71
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-ethoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247033
2-[3-(2-methylpropoxy)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247097
2-(3-ethyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141246993
N,N-dimethyl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247114
2-[3-(2,2,2-trifluoroethylsulfanyl)-4-pyridinyl]-5-(trifluoromethyl)-1H-indole
CID 141247087
6-chloro-2-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-c]pyridine
CID 146326550
N-propan-2-yl-4-[5-(trifluoromethyl)-1H-indol-2-yl]pyridin-3-amine
CID 141247005
6-methoxy-5-methyl-2-pyridin-3-yl-1H-indole
CID 69096952
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-(3-chloro-4-pyridinyl)-5-methyl-1H-pyrrolo[3,2-b]pyridine
CID 141247128
2-(3-phenylsulfanyl-4-pyridinyl)-5-(trifluoromethyl)-1H-indole
CID 141247036
2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 52919792

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The IUPAC name of 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole (CID 141247106) is 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The canonical SMILES for 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is COc1cnccc1-c1cc2cc(C(F)(F)F)c(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
The InChIKey is JRHCJYQPQBTRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N2O/c1-22-14-7-20-3-2-9(14)13-5-8-4-10(15(17,18)19)11(16)6-12(8)21-13/h2-7,21H,1H3.
What are the key properties of 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole?
6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole has a molecular weight of 326.71 g/mol, XLogP of 4.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methoxy-4-pyridinyl)-5-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 141247106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).