[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine

C8H7F5N2 — CID 118818433

IUPAC[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H7F5N2/c9-7(10)6-5(8(11,12)13)4(3-14)1-2-15-6/h1-2,7H,3,14H2
InChIKeyHLUFWLBKFKKEGE-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.50
Rot. Bonds2

About [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine

[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine (PubChem CID 118818433) has the molecular formula C8H7F5N2 and a molecular weight of 226.15 g/mol. Its IUPAC name is [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
PubChem CID118818433
Molecular FormulaC8H7F5N2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine
SMILESNCc1ccnc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H7F5N2/c9-7(10)6-5(8(11,12)13)4(3-14)1-2-15-6/h1-2,7H,3,14H2
InChIKeyHLUFWLBKFKKEGE-UHFFFAOYSA-N
XLogP2.50
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ethionamide
CID 2761171
Prothionamide
CID 666418
4-Vinylpyridine
CID 7502
Myosmine
CID 442649
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
Rivanicline
CID 5310967
2,4-Dimethylpyridine
CID 7936
3-Pyridinemethanamine
CID 31018
2-(3-Phenylpropyl)Pyridine
CID 459494
4,4'-Bipyridine
CID 11107

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The IUPAC name of [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine (CID 118818433) is [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The canonical SMILES for [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine is NCc1ccnc(C(F)F)c1C(F)(F)F.
What is the InChIKey of [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
The InChIKey is HLUFWLBKFKKEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F5N2/c9-7(10)6-5(8(11,12)13)4(3-14)1-2-15-6/h1-2,7H,3,14H2.
What are the key properties of [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine?
[2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine has a molecular weight of 226.15 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]methanamine is sourced from PubChem (CID 118818433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).