3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine

C13H11Cl2FN2O — CID 102753823

IUPAC3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-17-13-10(15)6-9(14)12(18-13)8-4-3-7(19-2)5-11(8)16/h3-6H,1-2H3,(H,17,18)
InChIKeyKEIOPSWEBHPDSW-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.24
Rot. Bonds3

About 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine

3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine (PubChem CID 102753823) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
PubChem CID102753823
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine
SMILESCNc1nc(-c2ccc(OC)cc2F)c(Cl)cc1Cl
InChIInChI=1S/C13H11Cl2FN2O/c1-17-13-10(15)6-9(14)12(18-13)8-4-3-7(19-2)5-11(8)16/h3-6H,1-2H3,(H,17,18)
InChIKeyKEIOPSWEBHPDSW-UHFFFAOYSA-N
XLogP4.24
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine (CID 102753823) is 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine is CNc1nc(-c2ccc(OC)cc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine?
The InChIKey is KEIOPSWEBHPDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-17-13-10(15)6-9(14)12(18-13)8-4-3-7(19-2)5-11(8)16/h3-6H,1-2H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine?
3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine has a molecular weight of 301.15 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(2-fluoro-4-methoxyphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102753823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).