3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine

C17H15Cl2N3 — CID 24784987

IUPAC3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine
SMILESCCn1cccc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3/c1-2-22-9-3-4-16(22)12-10-15(19)17(20-11-12)21-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,21)
InChIKeyXQCFFPJDHHKTKR-UHFFFAOYSA-N
MW332.23 g/mol
LogP5.62
Rot. Bonds4

About 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine

3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine (PubChem CID 24784987) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine
PubChem CID24784987
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine
SMILESCCn1cccc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C17H15Cl2N3/c1-2-22-9-3-4-16(22)12-10-15(19)17(20-11-12)21-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,21)
InChIKeyXQCFFPJDHHKTKR-UHFFFAOYSA-N
XLogP5.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.23
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine (CID 24784987) is 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine is CCn1cccc1-c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine?
The InChIKey is XQCFFPJDHHKTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c1-2-22-9-3-4-16(22)12-10-15(19)17(20-11-12)21-14-7-5-13(18)6-8-14/h3-11H,2H2,1H3,(H,20,21).
What are the key properties of 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine?
3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine has a molecular weight of 332.23 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)-5-(1-ethylpyrrol-2-yl)pyridin-2-amine is sourced from PubChem (CID 24784987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).