N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

C11H13F3N2O2 — CID 100689846

IUPACN-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1(CNc2ccc(C(F)(F)F)cn2)OCCO1
InChIInChI=1S/C11H13F3N2O2/c1-10(17-4-5-18-10)7-16-9-3-2-8(6-15-9)11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyBOHPAEKUGRAUEM-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.28
Rot. Bonds3

About N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 100689846) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID100689846
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC1(CNc2ccc(C(F)(F)F)cn2)OCCO1
InChIInChI=1S/C11H13F3N2O2/c1-10(17-4-5-18-10)7-16-9-3-2-8(6-15-9)11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H,15,16)
InChIKeyBOHPAEKUGRAUEM-UHFFFAOYSA-N
XLogP2.28
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 100689846) is N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is CC1(CNc2ccc(C(F)(F)F)cn2)OCCO1.
What is the InChIKey of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BOHPAEKUGRAUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c1-10(17-4-5-18-10)7-16-9-3-2-8(6-15-9)11(12,13)14/h2-3,6H,4-5,7H2,1H3,(H,15,16).
What are the key properties of N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 262.23 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 100689846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).