1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine

C10H12F3N3 — CID 10443877

IUPAC1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine
SMILESCc1cc(C(F)(F)F)cc(N2CC(N)C2)n1
InChIInChI=1S/C10H12F3N3/c1-6-2-7(10(11,12)13)3-9(15-6)16-4-8(14)5-16/h2-3,8H,4-5,14H2,1H3
InChIKeyYMJSVUMJDUDCFY-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.56
Rot. Bonds1

About 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine

1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine (PubChem CID 10443877) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine.

Molecular Properties

Compound Name1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine
PubChem CID10443877
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine
SMILESCc1cc(C(F)(F)F)cc(N2CC(N)C2)n1
InChIInChI=1S/C10H12F3N3/c1-6-2-7(10(11,12)13)3-9(15-6)16-4-8(14)5-16/h2-3,8H,4-5,14H2,1H3
InChIKeyYMJSVUMJDUDCFY-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
The IUPAC name of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine (CID 10443877) is 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine.
What is the SMILES notation for 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
The canonical SMILES for 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine is Cc1cc(C(F)(F)F)cc(N2CC(N)C2)n1.
What is the InChIKey of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
The InChIKey is YMJSVUMJDUDCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-6-2-7(10(11,12)13)3-9(15-6)16-4-8(14)5-16/h2-3,8H,4-5,14H2,1H3.
What are the key properties of 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine?
1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine has a molecular weight of 231.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]azetidin-3-amine is sourced from PubChem (CID 10443877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).