6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine

C15H14ClFN2O — CID 164529859

IUPAC6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine
SMILESC=C(OC)c1cc(Cl)ncc1Nc1ccc(F)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-9-6-11(17)4-5-13(9)19-14-8-18-15(16)7-12(14)10(2)20-3/h4-8,19H,2H2,1,3H3
InChIKeyDUMYSGPWQRVGRQ-UHFFFAOYSA-N
MW292.74 g/mol
LogP4.54
Rot. Bonds4

About 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine

6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine (PubChem CID 164529859) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine
PubChem CID164529859
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine
SMILESC=C(OC)c1cc(Cl)ncc1Nc1ccc(F)cc1C
InChIInChI=1S/C15H14ClFN2O/c1-9-6-11(17)4-5-13(9)19-14-8-18-15(16)7-12(14)10(2)20-3/h4-8,19H,2H2,1,3H3
InChIKeyDUMYSGPWQRVGRQ-UHFFFAOYSA-N
XLogP4.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine?
The IUPAC name of 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine (CID 164529859) is 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine is C=C(OC)c1cc(Cl)ncc1Nc1ccc(F)cc1C.
What is the InChIKey of 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine?
The InChIKey is DUMYSGPWQRVGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-6-11(17)4-5-13(9)19-14-8-18-15(16)7-12(14)10(2)20-3/h4-8,19H,2H2,1,3H3.
What are the key properties of 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine?
6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine has a molecular weight of 292.74 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-fluoro-2-methylphenyl)-4-(1-methoxyethenyl)pyridin-3-amine is sourced from PubChem (CID 164529859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).