4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one

C15H10ClF3N4O2 — CID 139489486

IUPAC4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C15H10ClF3N4O2/c1-25-12-6-20-14(24)5-10(12)9-4-8(16)2-3-11(9)23-7-13(21-22-23)15(17,18)19/h2-7H,1H3,(H,20,24)
InChIKeyASMGZJJSJBTIQV-UHFFFAOYSA-N
MW370.72 g/mol
LogP3.30
Rot. Bonds3

About 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one

4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one (PubChem CID 139489486) has the molecular formula C15H10ClF3N4O2 and a molecular weight of 370.72 g/mol. Its IUPAC name is 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one
PubChem CID139489486
Molecular FormulaC15H10ClF3N4O2
Molecular Weight370.72 g/mol
Exact Mass370.04
IUPAC Name4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one
SMILESCOc1c[nH]c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1
InChIInChI=1S/C15H10ClF3N4O2/c1-25-12-6-20-14(24)5-10(12)9-4-8(16)2-3-11(9)23-7-13(21-22-23)15(17,18)19/h2-7H,1H3,(H,20,24)
InChIKeyASMGZJJSJBTIQV-UHFFFAOYSA-N
XLogP3.30
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.72
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one?
The IUPAC name of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one (CID 139489486) is 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one?
The canonical SMILES for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one is COc1c[nH]c(=O)cc1-c1cc(Cl)ccc1-n1cc(C(F)(F)F)nn1.
What is the InChIKey of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one?
The InChIKey is ASMGZJJSJBTIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O2/c1-25-12-6-20-14(24)5-10(12)9-4-8(16)2-3-11(9)23-7-13(21-22-23)15(17,18)19/h2-7H,1H3,(H,20,24).
What are the key properties of 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one?
4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one has a molecular weight of 370.72 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-5-methoxy-1H-pyridin-2-one is sourced from PubChem (CID 139489486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).