[4-(trifluoromethyl)-3-pyridinyl]methanimine

C7H5F3N2 — CID 142976342

IUPAC[4-(trifluoromethyl)-3-pyridinyl]methanimine
SMILES[H]/N=C/c1cnccc1C(F)(F)F
InChIInChI=1S/C7H5F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-4,11H/b11-3+
InChIKeyODDFUIKPSJQSQZ-QDEBKDIKSA-N
MW174.13 g/mol
LogP2.10
Rot. Bonds1

About [4-(trifluoromethyl)-3-pyridinyl]methanimine

[4-(trifluoromethyl)-3-pyridinyl]methanimine (PubChem CID 142976342) has the molecular formula C7H5F3N2 and a molecular weight of 174.13 g/mol. Its IUPAC name is [4-(trifluoromethyl)-3-pyridinyl]methanimine.

Molecular Properties

Compound Name[4-(trifluoromethyl)-3-pyridinyl]methanimine
PubChem CID142976342
Molecular FormulaC7H5F3N2
Molecular Weight174.13 g/mol
Exact Mass174.04
IUPAC Name[4-(trifluoromethyl)-3-pyridinyl]methanimine
SMILES[H]/N=C/c1cnccc1C(F)(F)F
InChIInChI=1S/C7H5F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-4,11H/b11-3+
InChIKeyODDFUIKPSJQSQZ-QDEBKDIKSA-N
XLogP2.10
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(4-methyl-3-pyridinyl)methanimine
CID 89161625
3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-enal
CID 169459394
3-(3-bromoprop-1-enyl)-4-(trifluoromethyl)pyridine
CID 169475829
3-[4-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 169460692
4-[4-(trifluoromethyl)-3-pyridinyl]but-3-enoic acid
CID 170483925
4-(trifluoromethyl)pyridin-3-ol
CID 25210497
(3-propan-2-yl-4-pyridinyl)methanimine
CID 176559448
2-amino-1,3-thiazole-5-carbaldehyde;4-(trifluoromethyl)pyridine-3-carbaldehyde
CID 158864957
7,8-bis(trifluoromethyl)isoquinoline;hydrochloride
CID 159665833
potassium trifluoro-[4-(trifluoromethyl)-3-pyridinyl]boranuide
CID 102707180
bis[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 151901684
[4-(trifluoromethyl)-3-pyridinyl]methanediol
CID 162592484

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]methanimine?
The IUPAC name of [4-(trifluoromethyl)-3-pyridinyl]methanimine (CID 142976342) is [4-(trifluoromethyl)-3-pyridinyl]methanimine.
What is the SMILES notation for [4-(trifluoromethyl)-3-pyridinyl]methanimine?
The canonical SMILES for [4-(trifluoromethyl)-3-pyridinyl]methanimine is [H]/N=C/c1cnccc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-3-pyridinyl]methanimine?
The InChIKey is ODDFUIKPSJQSQZ-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H5F3N2/c8-7(9,10)6-1-2-12-4-5(6)3-11/h1-4,11H/b11-3+.
What are the key properties of [4-(trifluoromethyl)-3-pyridinyl]methanimine?
[4-(trifluoromethyl)-3-pyridinyl]methanimine has a molecular weight of 174.13 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-3-pyridinyl]methanimine is sourced from PubChem (CID 142976342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).