3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine

C17H14Cl2N2OS — CID 10067382

IUPAC3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine
SMILESCc1csc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)c2)c1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-5-16(23-9-10)11-6-15(17(20)21-7-11)22-8-12-13(18)3-2-4-14(12)19/h2-7,9H,8H2,1H3,(H2,20,21)
InChIKeyRUZRWYSCYNHZAY-UHFFFAOYSA-N
MW365.29 g/mol
LogP5.59
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine

3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine (PubChem CID 10067382) has the molecular formula C17H14Cl2N2OS and a molecular weight of 365.29 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine
PubChem CID10067382
Molecular FormulaC17H14Cl2N2OS
Molecular Weight365.29 g/mol
Exact Mass364.02
IUPAC Name3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine
SMILESCc1csc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)c2)c1
InChIInChI=1S/C17H14Cl2N2OS/c1-10-5-16(23-9-10)11-6-15(17(20)21-7-11)22-8-12-13(18)3-2-4-14(12)19/h2-7,9H,8H2,1H3,(H2,20,21)
InChIKeyRUZRWYSCYNHZAY-UHFFFAOYSA-N
XLogP5.59
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.29
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine (CID 10067382) is 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine is Cc1csc(-c2cnc(N)c(OCc3c(Cl)cccc3Cl)c2)c1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine?
The InChIKey is RUZRWYSCYNHZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2OS/c1-10-5-16(23-9-10)11-6-15(17(20)21-7-11)22-8-12-13(18)3-2-4-14(12)19/h2-7,9H,8H2,1H3,(H2,20,21).
What are the key properties of 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine?
3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine has a molecular weight of 365.29 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methoxy]-5-(4-methylthiophen-2-yl)pyridin-2-amine is sourced from PubChem (CID 10067382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).