3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine

C13H13ClN2O — CID 79700423

IUPAC3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine
SMILESCOc1cc(-c2cc(C)cnc2N)ccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-8-5-10(13(15)16-7-8)9-3-4-11(14)12(6-9)17-2/h3-7H,1-2H3,(H2,15,16)
InChIKeyRDLLCMPSDDGYLD-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.30
Rot. Bonds2

About 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine

3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine (PubChem CID 79700423) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine.

Molecular Properties

Compound Name3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine
PubChem CID79700423
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine
SMILESCOc1cc(-c2cc(C)cnc2N)ccc1Cl
InChIInChI=1S/C13H13ClN2O/c1-8-5-10(13(15)16-7-8)9-3-4-11(14)12(6-9)17-2/h3-7H,1-2H3,(H2,15,16)
InChIKeyRDLLCMPSDDGYLD-UHFFFAOYSA-N
XLogP3.30
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine?
The IUPAC name of 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine (CID 79700423) is 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine.
What is the SMILES notation for 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine?
The canonical SMILES for 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine is COc1cc(-c2cc(C)cnc2N)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine?
The InChIKey is RDLLCMPSDDGYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-8-5-10(13(15)16-7-8)9-3-4-11(14)12(6-9)17-2/h3-7H,1-2H3,(H2,15,16).
What are the key properties of 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine?
3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine has a molecular weight of 248.71 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methoxyphenyl)-5-methylpyridin-2-amine is sourced from PubChem (CID 79700423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).