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

C19H15ClFN3 — CID 123308679

IUPAC4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(-c2cc(Cl)cnc2-c2ccc(F)c(C)c2)ccc1N
InChIInChI=1S/C19H15ClFN3/c1-11-6-13(2-4-17(11)21)19-16(8-15(20)10-24-19)12-3-5-18(23)14(7-12)9-22/h2-10,22H,23H2,1H3/b22-9+
InChIKeyBRLJSVIZSGARKT-LSFURLLWSA-N
MW339.80 g/mol
LogP5.10
Rot. Bonds3

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

4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline (PubChem CID 123308679) has the molecular formula C19H15ClFN3 and a molecular weight of 339.80 g/mol. Its IUPAC name is 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline.

Molecular Properties

Compound Name4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline
PubChem CID123308679
Molecular FormulaC19H15ClFN3
Molecular Weight339.80 g/mol
Exact Mass339.09
IUPAC Name4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline
SMILES[H]/N=C/c1cc(-c2cc(Cl)cnc2-c2ccc(F)c(C)c2)ccc1N
InChIInChI=1S/C19H15ClFN3/c1-11-6-13(2-4-17(11)21)19-16(8-15(20)10-24-19)12-3-5-18(23)14(7-12)9-22/h2-10,22H,23H2,1H3/b22-9+
InChIKeyBRLJSVIZSGARKT-LSFURLLWSA-N
XLogP5.10
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.80
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline?
The IUPAC name of 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline (CID 123308679) is 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline.
What is the SMILES notation for 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline?
The canonical SMILES for 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline is [H]/N=C/c1cc(-c2cc(Cl)cnc2-c2ccc(F)c(C)c2)ccc1N.
What is the InChIKey of 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline?
The InChIKey is BRLJSVIZSGARKT-LSFURLLWSA-N. The full InChI is InChI=1S/C19H15ClFN3/c1-11-6-13(2-4-17(11)21)19-16(8-15(20)10-24-19)12-3-5-18(23)14(7-12)9-22/h2-10,22H,23H2,1H3/b22-9+.
What are the key properties of 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline?
4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline has a molecular weight of 339.80 g/mol, XLogP of 5.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methanimidoylaniline is sourced from PubChem (CID 123308679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).