N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine

C10H11F3N2O — CID 142991459

IUPACN-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOC/C=C/Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O/c1-16-6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h2-5,7H,6H2,1H3,(H,14,15)/b5-2+
InChIKeyOUPQASMNEYOSQG-GORDUTHDSA-N
MW232.21 g/mol
LogP2.67
Rot. Bonds4

About N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine

N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 142991459) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID142991459
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC NameN-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCOC/C=C/Nc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H11F3N2O/c1-16-6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h2-5,7H,6H2,1H3,(H,14,15)/b5-2+
InChIKeyOUPQASMNEYOSQG-GORDUTHDSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxypropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2988986
N-(2-methoxyethyl)-N'-[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 83038922
N-(3-methylbutan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43084333
[5-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 1477642
N-(3-chloro-4-methoxybutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 106242955
methyl 3-[[5-(trifluoromethyl)-2-pyridinyl]amino]propanoate
CID 60631959
N-(3-methoxycyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 104576703
3-chloro-N-[5-(trifluoromethyl)-2-pyridinyl]pyrazin-2-amine
CID 169204837
N-but-3-en-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 115691993
N-[(4-methylphenyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 29047903
N-(3-cyclopropylpropyl)-5-(trifluoromethyl)pyridin-2-amine
CID 115637573
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine (CID 142991459) is N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine is COC/C=C/Nc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is OUPQASMNEYOSQG-GORDUTHDSA-N. The full InChI is InChI=1S/C10H11F3N2O/c1-16-6-2-5-14-9-4-3-8(7-15-9)10(11,12)13/h2-5,7H,6H2,1H3,(H,14,15)/b5-2+.
What are the key properties of N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 232.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-methoxyprop-1-enyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 142991459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).