(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid

C14H13F3N2O2 — CID 68670040

IUPAC(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1ccc(-c2ccccn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N2.C2HF3O2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;3-2(4,5)1(6)7/h1-8H,9,13H2;(H,6,7)
InChIKeyCUMNWSKCPRLURB-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.84
Rot. Bonds2

About (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid

(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 68670040) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID68670040
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1ccc(-c2ccccn2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H12N2.C2HF3O2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;3-2(4,5)1(6)7/h1-8H,9,13H2;(H,6,7)
InChIKeyCUMNWSKCPRLURB-UHFFFAOYSA-N
XLogP2.84
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(6-pyridin-2-yl-1,2,4,5-tetrazin-3-yl)phenyl]methanamine;tris(2,2,2-trifluoroacetic acid)
CID 178200513
2-(4-pyridin-2-ylphenyl)acetamide
CID 57447645
2-methoxy-2-[(4-pyridin-2-ylphenyl)methyl]propanedioic acid
CID 135182415
2,2-difluoro-2-(4-pyridin-2-ylphenyl)acetamide
CID 144811311
(2S)-3-phenyl-2-[(3-pyridin-2-ylphenyl)methylamino]propanamide;2,2,2-trifluoroacetic acid
CID 53360237
(4-ethylphenyl)methanamine;2,2,2-trifluoroacetic acid
CID 70207197
2-phenylpyridine;propan-2-one
CID 174845023
2-pyridin-2-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 175747170
[4-(5-pyridin-2-yl-1,2-oxazol-3-yl)phenyl]methanamine
CID 125466476
hydrazine;2-phenylpyridine
CID 158673997
N-[(5S,7R)-3-amino-1-adamantyl]-4-pyridin-2-ylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 175969875
(4-pyridin-2-ylphenyl)methanesulfinic acid
CID 174730201

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid (CID 68670040) is (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid is NCc1ccc(-c2ccccn2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is CUMNWSKCPRLURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2.C2HF3O2/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12;3-2(4,5)1(6)7/h1-8H,9,13H2;(H,6,7).
What are the key properties of (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid?
(4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 298.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-2-ylphenyl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68670040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).