N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine

C18H12F2N2 — CID 171920561

IUPACN-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine
SMILESFc1ccc(/N=C/c2ccccc2)c(F)c1-c1ccncc1
InChIInChI=1S/C18H12F2N2/c19-15-6-7-16(22-12-13-4-2-1-3-5-13)18(20)17(15)14-8-10-21-11-9-14/h1-12H/b22-12+
InChIKeyGRTVNTTYPLBYBR-WSDLNYQXSA-N
MW294.30 g/mol
LogP4.78
Rot. Bonds3

About N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine

N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine (PubChem CID 171920561) has the molecular formula C18H12F2N2 and a molecular weight of 294.30 g/mol. Its IUPAC name is N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine
PubChem CID171920561
Molecular FormulaC18H12F2N2
Molecular Weight294.30 g/mol
Exact Mass294.10
IUPAC NameN-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine
SMILESFc1ccc(/N=C/c2ccccc2)c(F)c1-c1ccncc1
InChIInChI=1S/C18H12F2N2/c19-15-6-7-16(22-12-13-4-2-1-3-5-13)18(20)17(15)14-8-10-21-11-9-14/h1-12H/b22-12+
InChIKeyGRTVNTTYPLBYBR-WSDLNYQXSA-N
XLogP4.78
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Dimethindene
CID 21855
Pheniramine
CID 4761
Azatadine
CID 19861
Anabaseine
CID 18985
4-Phenylpyridine
CID 13651
2-(3-Phenylpropyl)Pyridine
CID 459494
3-Phenylpyridine
CID 13886
5-Aminoisoquinoline
CID 70766
4-(3-Phenylpropyl)pyridine
CID 74937
2,3'-Bipyridine
CID 11389
4-Benzylpyridine
CID 16458
2,3-Diphenylpyrazine
CID 243907

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine?
The IUPAC name of N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine (CID 171920561) is N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine.
What is the SMILES notation for N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine?
The canonical SMILES for N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine is Fc1ccc(/N=C/c2ccccc2)c(F)c1-c1ccncc1.
What is the InChIKey of N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine?
The InChIKey is GRTVNTTYPLBYBR-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H12F2N2/c19-15-6-7-16(22-12-13-4-2-1-3-5-13)18(20)17(15)14-8-10-21-11-9-14/h1-12H/b22-12+.
What are the key properties of N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine?
N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine has a molecular weight of 294.30 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-pyridin-4-ylphenyl)-1-phenylmethanimine is sourced from PubChem (CID 171920561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).