4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine

C13H11F3N2O — CID 66652889

IUPAC4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnc(N)c1
InChIInChI=1S/C13H11F3N2O/c1-19-11-3-2-9(13(14,15)16)7-10(11)8-4-5-18-12(17)6-8/h2-7H,1H3,(H2,17,18)
InChIKeyRSYVFVMOAXJOIS-UHFFFAOYSA-N
MW268.24 g/mol
LogP3.36
Rot. Bonds2

About 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine

4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 66652889) has the molecular formula C13H11F3N2O and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID66652889
Molecular FormulaC13H11F3N2O
Molecular Weight268.24 g/mol
Exact Mass268.08
IUPAC Name4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccnc(N)c1
InChIInChI=1S/C13H11F3N2O/c1-19-11-3-2-9(13(14,15)16)7-10(11)8-4-5-18-12(17)6-8/h2-7H,1H3,(H2,17,18)
InChIKeyRSYVFVMOAXJOIS-UHFFFAOYSA-N
XLogP3.36
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine (CID 66652889) is 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine is COc1ccc(C(F)(F)F)cc1-c1ccnc(N)c1.
What is the InChIKey of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is RSYVFVMOAXJOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O/c1-19-11-3-2-9(13(14,15)16)7-10(11)8-4-5-18-12(17)6-8/h2-7H,1H3,(H2,17,18).
What are the key properties of 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine?
4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 268.24 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-5-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 66652889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).