[2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride

C7H8ClF3N2 — CID 70700688

IUPAC[2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2.ClH/c8-7(9,10)6-3-5(4-11)1-2-12-6;/h1-3H,4,11H2;1H
InChIKeyBDDKPNSDKMBCNT-UHFFFAOYSA-N
MW212.60 g/mol
LogP1.98
Rot. Bonds1

About [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride

[2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride (PubChem CID 70700688) has the molecular formula C7H8ClF3N2 and a molecular weight of 212.60 g/mol. Its IUPAC name is [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride
PubChem CID70700688
Molecular FormulaC7H8ClF3N2
Molecular Weight212.60 g/mol
Exact Mass212.03
IUPAC Name[2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C7H7F3N2.ClH/c8-7(9,10)6-3-5(4-11)1-2-12-6;/h1-3H,4,11H2;1H
InChIKeyBDDKPNSDKMBCNT-UHFFFAOYSA-N
XLogP1.98
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride (CID 70700688) is [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride is Cl.NCc1ccnc(C(F)(F)F)c1.
What is the InChIKey of [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride?
The InChIKey is BDDKPNSDKMBCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.ClH/c8-7(9,10)6-3-5(4-11)1-2-12-6;/h1-3H,4,11H2;1H.
What are the key properties of [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride?
[2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride has a molecular weight of 212.60 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)-4-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 70700688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).