N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine

C19H12ClF3N2O — CID 171062917

IUPACN-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)Oc1cnc(Cl)cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H12ClF3N2O/c20-17-11-15(16(12-24-17)26-19(21,22)23)25-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyTXAKGKDPIZLABK-UHFFFAOYSA-N
MW376.77 g/mol
LogP5.80
Rot. Bonds4

About N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine

N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 171062917) has the molecular formula C19H12ClF3N2O and a molecular weight of 376.77 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
PubChem CID171062917
Molecular FormulaC19H12ClF3N2O
Molecular Weight376.77 g/mol
Exact Mass376.06
IUPAC NameN-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine
SMILESFC(F)(F)Oc1cnc(Cl)cc1N=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H12ClF3N2O/c20-17-11-15(16(12-24-17)26-19(21,22)23)25-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H
InChIKeyTXAKGKDPIZLABK-UHFFFAOYSA-N
XLogP5.80
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.77
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-fluoro-4-(trifluoromethoxy)phenyl]-1,1-diphenylmethanimine
CID 169122838
2-chloro-5-(trifluoromethoxy)pyridine-4-carbaldehyde
CID 119019372
6-chloro-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carboxylic acid
CID 134631035
6-chloro-4-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 119024459
methyl 2-chloro-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133054057
[6-chloro-4-(trifluoromethoxy)-3-pyridinyl]methanamine
CID 130089748
2-chloro-4-(trifluoromethoxy)quinoline
CID 150452765
N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 63173340
6-chloro-N-methyl-4-[[2-(trifluoromethoxy)benzoyl]amino]pyridine-3-carboxamide
CID 156880888
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-1,1-diphenylmethanimine
CID 171058853
2-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
2-[2-(trifluoromethoxy)phenyl]pyridine-4-carboxylic acid
CID 50999403

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine (CID 171062917) is N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine is FC(F)(F)Oc1cnc(Cl)cc1N=C(c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is TXAKGKDPIZLABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N2O/c20-17-11-15(16(12-24-17)26-19(21,22)23)25-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12H.
What are the key properties of N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine?
N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 376.77 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethoxy)-4-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 171062917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).