3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

C10H11F3N2O — CID 106214712

IUPAC3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCOc1cccnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O/c1-16-7-3-2-6-14-8(7)15-9(4-5-9)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyOEUVCQJNXFCXDP-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.60
Rot. Bonds3

About 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine

3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (PubChem CID 106214712) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
PubChem CID106214712
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
SMILESCOc1cccnc1NC1(C(F)(F)F)CC1
InChIInChI=1S/C10H11F3N2O/c1-16-7-3-2-6-14-8(7)15-9(4-5-9)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15)
InChIKeyOEUVCQJNXFCXDP-UHFFFAOYSA-N
XLogP2.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The IUPAC name of 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine (CID 106214712) is 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine.
What is the SMILES notation for 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The canonical SMILES for 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is COc1cccnc1NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
The InChIKey is OEUVCQJNXFCXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-16-7-3-2-6-14-8(7)15-9(4-5-9)10(11,12)13/h2-3,6H,4-5H2,1H3,(H,14,15).
What are the key properties of 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine?
3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine has a molecular weight of 232.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine is sourced from PubChem (CID 106214712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).