ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine

C12H15F3N2 — CID 177181555

IUPACethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC.CC#Cc1cc(N)nc(C)c1C(F)(F)F
InChIInChI=1S/C10H9F3N2.C2H6/c1-3-4-7-5-8(14)15-6(2)9(7)10(11,12)13;1-2/h5H,1-2H3,(H2,14,15);1-2H3
InChIKeyQHGRCPNHTHSNHY-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.39
Rot. Bonds

About ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine

ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 177181555) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Nameethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID177181555
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Nameethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine
SMILESCC.CC#Cc1cc(N)nc(C)c1C(F)(F)F
InChIInChI=1S/C10H9F3N2.C2H6/c1-3-4-7-5-8(14)15-6(2)9(7)10(11,12)13;1-2/h5H,1-2H3,(H2,14,15);1-2H3
InChIKeyQHGRCPNHTHSNHY-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine (CID 177181555) is ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine is CC.CC#Cc1cc(N)nc(C)c1C(F)(F)F.
What is the InChIKey of ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QHGRCPNHTHSNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2.C2H6/c1-3-4-7-5-8(14)15-6(2)9(7)10(11,12)13;1-2/h5H,1-2H3,(H2,14,15);1-2H3.
What are the key properties of ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine?
ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 244.26 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-4-prop-1-ynyl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 177181555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).