[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine

C13H11F3N2 — CID 131866305

IUPAC[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
SMILESNCc1ccc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12-4-2-1-3-11(12)9-5-6-10(7-17)18-8-9/h1-6,8H,7,17H2
InChIKeyQDUSVJMQLHAWGP-UHFFFAOYSA-N
MW252.24 g/mol
LogP3.23
Rot. Bonds2

About [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine

[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine (PubChem CID 131866305) has the molecular formula C13H11F3N2 and a molecular weight of 252.24 g/mol. Its IUPAC name is [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
PubChem CID131866305
Molecular FormulaC13H11F3N2
Molecular Weight252.24 g/mol
Exact Mass252.09
IUPAC Name[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine
SMILESNCc1ccc(-c2ccccc2C(F)(F)F)cn1
InChIInChI=1S/C13H11F3N2/c14-13(15,16)12-4-2-1-3-11(12)9-5-6-10(7-17)18-8-9/h1-6,8H,7,17H2
InChIKeyQDUSVJMQLHAWGP-UHFFFAOYSA-N
XLogP3.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-5-[2-(trifluoromethyl)phenyl]pyridin-2-amine
CID 143910829
[5-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methanamine
CID 71301549
2-[4-[2-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 82039542
[2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]methanamine
CID 46785114
2,5-bis[2-(trifluoromethyl)phenyl]pyridin-3-amine
CID 134624057
2-[3,5-bis[2-(trifluoromethyl)phenyl]-2-pyridinyl]acetonitrile
CID 134623346
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164608301
2,3-dimethyl-5-[2-(trifluoromethyl)phenyl]pyridine
CID 145031967
2,3-dichloro-5-[2-(trifluoromethyl)phenyl]pyridine
CID 118815216
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
3-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]propan-1-amine
CID 164608391

Frequently Asked Questions

What is the IUPAC name of [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
The IUPAC name of [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine (CID 131866305) is [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
The canonical SMILES for [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine is NCc1ccc(-c2ccccc2C(F)(F)F)cn1.
What is the InChIKey of [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
The InChIKey is QDUSVJMQLHAWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2/c14-13(15,16)12-4-2-1-3-11(12)9-5-6-10(7-17)18-8-9/h1-6,8H,7,17H2.
What are the key properties of [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine?
[5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine has a molecular weight of 252.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 131866305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).