(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone

C14H9ClF3NO3 — CID 67399200

IUPAC(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1nc(C(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO3/c1-21-13-10(15)6-7-11(19-13)12(20)8-2-4-9(5-3-8)22-14(16,17)18/h2-7H,1H3
InChIKeyFSYSYUXJQGMSIQ-UHFFFAOYSA-N
MW331.68 g/mol
LogP3.87
Rot. Bonds4

About (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone

(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 67399200) has the molecular formula C14H9ClF3NO3 and a molecular weight of 331.68 g/mol. Its IUPAC name is (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID67399200
Molecular FormulaC14H9ClF3NO3
Molecular Weight331.68 g/mol
Exact Mass331.02
IUPAC Name(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESCOc1nc(C(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl
InChIInChI=1S/C14H9ClF3NO3/c1-21-13-10(15)6-7-11(19-13)12(20)8-2-4-9(5-3-8)22-14(16,17)18/h2-7H,1H3
InChIKeyFSYSYUXJQGMSIQ-UHFFFAOYSA-N
XLogP3.87
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.68
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone (CID 67399200) is (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone is COc1nc(C(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl.
What is the InChIKey of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is FSYSYUXJQGMSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3NO3/c1-21-13-10(15)6-7-11(19-13)12(20)8-2-4-9(5-3-8)22-14(16,17)18/h2-7H,1H3.
What are the key properties of (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone?
(5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 331.68 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-6-methoxy-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 67399200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).