5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine

C18H13ClF3N3O — CID 135246519

IUPAC5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine
SMILESCOc1ncc(Cl)cc1-c1cccnc1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H13ClF3N3O/c1-26-17-14(8-12(19)10-25-17)13-3-2-6-23-15(13)7-11-4-5-16(24-9-11)18(20,21)22/h2-6,8-10H,7H2,1H3
InChIKeyHATRANRHMOFKJM-UHFFFAOYSA-N
MW379.77 g/mol
LogP4.81
Rot. Bonds4

About 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine

5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine (PubChem CID 135246519) has the molecular formula C18H13ClF3N3O and a molecular weight of 379.77 g/mol. Its IUPAC name is 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine.

Molecular Properties

Compound Name5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine
PubChem CID135246519
Molecular FormulaC18H13ClF3N3O
Molecular Weight379.77 g/mol
Exact Mass379.07
IUPAC Name5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine
SMILESCOc1ncc(Cl)cc1-c1cccnc1Cc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H13ClF3N3O/c1-26-17-14(8-12(19)10-25-17)13-3-2-6-23-15(13)7-11-4-5-16(24-9-11)18(20,21)22/h2-6,8-10H,7H2,1H3
InChIKeyHATRANRHMOFKJM-UHFFFAOYSA-N
XLogP4.81
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.77
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine?
The IUPAC name of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine (CID 135246519) is 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine.
What is the SMILES notation for 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine?
The canonical SMILES for 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine is COc1ncc(Cl)cc1-c1cccnc1Cc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine?
The InChIKey is HATRANRHMOFKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O/c1-26-17-14(8-12(19)10-25-17)13-3-2-6-23-15(13)7-11-4-5-16(24-9-11)18(20,21)22/h2-6,8-10H,7H2,1H3.
What are the key properties of 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine?
5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine has a molecular weight of 379.77 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-3-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyridine is sourced from PubChem (CID 135246519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).