4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline

C17H13FN4 — CID 145141528

IUPAC4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)cn2)ccc1N
InChIInChI=1S/C17H13FN4/c18-13-4-6-16(22-10-13)17-14(2-1-7-21-17)11-3-5-15(20)12(8-11)9-19/h1-10,19H,20H2/b19-9+
InChIKeyMHVLVGNFASTJPH-DJKKODMXSA-N
MW292.32 g/mol
LogP3.53
Rot. Bonds3

About 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline

4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline (PubChem CID 145141528) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline.

Molecular Properties

Compound Name4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline
PubChem CID145141528
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(-c2cccnc2-c2ccc(F)cn2)ccc1N
InChIInChI=1S/C17H13FN4/c18-13-4-6-16(22-10-13)17-14(2-1-7-21-17)11-3-5-15(20)12(8-11)9-19/h1-10,19H,20H2/b19-9+
InChIKeyMHVLVGNFASTJPH-DJKKODMXSA-N
XLogP3.53
TPSA75.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[2-(3-fluorophenyl)-3-pyridinyl]-2-methanimidoylaniline
CID 123941283
5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-3-amine
CID 123477606
2-methanimidoyl-4-[3-methyl-2-(6-methyl-2-pyridinyl)phenyl]aniline
CID 167217297
2-methanimidoyl-4-(4-methylphenyl)aniline
CID 145157204
4-[2-(3,4-difluorophenyl)-5-ethoxy-3-pyridinyl]-2-methanimidoylaniline
CID 123806030
[2-[2-(2-methanimidoylphenyl)-3-pyridinyl]phenyl]methanimine
CID 87826913
5-(4-amino-3-methanimidoylphenyl)-6-(3-propylphenyl)pyridin-3-amine
CID 123380813
(2-phenyl-3-pyridinyl)methanimine
CID 90856278
4-[2-(4-fluorophenyl)-3-pyridinyl]pyrimidin-2-amine
CID 10220968
2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(2-hydroxyethyl)-3-methanimidoylbenzamide
CID 167217299
1-[[2-amino-5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]phenyl]methylideneamino]propan-2-ol
CID 139453678
N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide
CID 123773144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline?
The IUPAC name of 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline (CID 145141528) is 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline.
What is the SMILES notation for 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline?
The canonical SMILES for 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline is [H]/N=C/c1cc(-c2cccnc2-c2ccc(F)cn2)ccc1N.
What is the InChIKey of 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline?
The InChIKey is MHVLVGNFASTJPH-DJKKODMXSA-N. The full InChI is InChI=1S/C17H13FN4/c18-13-4-6-16(22-10-13)17-14(2-1-7-21-17)11-3-5-15(20)12(8-11)9-19/h1-10,19H,20H2/b19-9+.
What are the key properties of 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline?
4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline has a molecular weight of 292.32 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-fluoro-2-pyridinyl)-3-pyridinyl]-2-methanimidoylaniline is sourced from PubChem (CID 145141528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).