5-(4-chlorophenyl)-2-methoxypyridin-3-amine

C12H11ClN2O — CID 105495486

IUPAC5-(4-chlorophenyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C12H11ClN2O/c1-16-12-11(14)6-9(7-15-12)8-2-4-10(13)5-3-8/h2-7H,14H2,1H3
InChIKeyKUSOKBKAKGAHON-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.99
Rot. Bonds2

About 5-(4-chlorophenyl)-2-methoxypyridin-3-amine

5-(4-chlorophenyl)-2-methoxypyridin-3-amine (PubChem CID 105495486) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methoxypyridin-3-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methoxypyridin-3-amine
PubChem CID105495486
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-(4-chlorophenyl)-2-methoxypyridin-3-amine
SMILESCOc1ncc(-c2ccc(Cl)cc2)cc1N
InChIInChI=1S/C12H11ClN2O/c1-16-12-11(14)6-9(7-15-12)8-2-4-10(13)5-3-8/h2-7H,14H2,1H3
InChIKeyKUSOKBKAKGAHON-UHFFFAOYSA-N
XLogP2.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methoxypyridin-3-amine?
The IUPAC name of 5-(4-chlorophenyl)-2-methoxypyridin-3-amine (CID 105495486) is 5-(4-chlorophenyl)-2-methoxypyridin-3-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methoxypyridin-3-amine?
The canonical SMILES for 5-(4-chlorophenyl)-2-methoxypyridin-3-amine is COc1ncc(-c2ccc(Cl)cc2)cc1N.
What is the InChIKey of 5-(4-chlorophenyl)-2-methoxypyridin-3-amine?
The InChIKey is KUSOKBKAKGAHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-16-12-11(14)6-9(7-15-12)8-2-4-10(13)5-3-8/h2-7H,14H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-2-methoxypyridin-3-amine?
5-(4-chlorophenyl)-2-methoxypyridin-3-amine has a molecular weight of 234.69 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methoxypyridin-3-amine is sourced from PubChem (CID 105495486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).