N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine

C19H14F2N2 — CID 156507700

IUPACN-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
SMILESFC(F)c1cncc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14F2N2/c20-19(21)16-11-17(13-22-12-16)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChIKeyIZSCYJDEIIZFKD-UHFFFAOYSA-N
MW308.33 g/mol
LogP5.19
Rot. Bonds4

About N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine

N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 156507700) has the molecular formula C19H14F2N2 and a molecular weight of 308.33 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
PubChem CID156507700
Molecular FormulaC19H14F2N2
Molecular Weight308.33 g/mol
Exact Mass308.11
IUPAC NameN-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
SMILESFC(F)c1cncc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H14F2N2/c20-19(21)16-11-17(13-22-12-16)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H
InChIKeyIZSCYJDEIIZFKD-UHFFFAOYSA-N
XLogP5.19
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.33
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine (CID 156507700) is N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine is FC(F)c1cncc(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is IZSCYJDEIIZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N2/c20-19(21)16-11-17(13-22-12-16)23-18(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H.
What are the key properties of N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 308.33 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 156507700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).