(E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine

C12H10FN2+ — CID 177422243

IUPAC(E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine
SMILESFc1ccc(/C=N/[n+]2ccccc2)cc1
InChIInChI=1S/C12H10FN2/c13-12-6-4-11(5-7-12)10-14-15-8-2-1-3-9-15/h1-10H/q+1/b14-10+
InChIKeySOBWKBXNSMNCMN-GXDHUFHOSA-N
MW201.22 g/mol
LogP2.00
Rot. Bonds2

About (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine

(E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine (PubChem CID 177422243) has the molecular formula C12H10FN2+ and a molecular weight of 201.22 g/mol. Its IUPAC name is (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine
PubChem CID177422243
Molecular FormulaC12H10FN2+
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name(E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine
SMILESFc1ccc(/C=N/[n+]2ccccc2)cc1
InChIInChI=1S/C12H10FN2/c13-12-6-4-11(5-7-12)10-14-15-8-2-1-3-9-15/h1-10H/q+1/b14-10+
InChIKeySOBWKBXNSMNCMN-GXDHUFHOSA-N
XLogP2.00
TPSA16.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 132933007
1-(4-fluorophenyl)-N-(4-phenoxyphenyl)methanimine
CID 932026
2-[(4-fluorophenyl)methylideneamino]aniline
CID 21236289
N-[(4-fluorophenyl)methylideneamino]-1,1-diphenylmethanimine
CID 4618251
N-[(4-fluorophenyl)methylidene]benzamide
CID 10966224
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)methanimine
CID 11313306
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
[4-(4-fluorophenyl)phenyl]methylidenehydrazine
CID 168529624
1-(4-fluorophenyl)-N-trimethylsilylmethanimine
CID 86179040
N-ethyl-1-(4-fluorophenyl)methanimine
CID 59798639

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine?
The IUPAC name of (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine (CID 177422243) is (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine.
What is the SMILES notation for (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine?
The canonical SMILES for (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine is Fc1ccc(/C=N/[n+]2ccccc2)cc1.
What is the InChIKey of (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine?
The InChIKey is SOBWKBXNSMNCMN-GXDHUFHOSA-N. The full InChI is InChI=1S/C12H10FN2/c13-12-6-4-11(5-7-12)10-14-15-8-2-1-3-9-15/h1-10H/q+1/b14-10+.
What are the key properties of (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine?
(E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine has a molecular weight of 201.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-fluorophenyl)-N-pyridin-1-ium-1-ylmethanimine is sourced from PubChem (CID 177422243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).