4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine

C13H14ClN3 — CID 123953894

IUPAC4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine
SMILESCCc1c(N)cccc1-c1cc(N)ncc1Cl
InChIInChI=1S/C13H14ClN3/c1-2-8-9(4-3-5-12(8)15)10-6-13(16)17-7-11(10)14/h3-7H,2,15H2,1H3,(H2,16,17)
InChIKeyLGMHHALAOCZCDK-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.13
Rot. Bonds2

About 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine

4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine (PubChem CID 123953894) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine.

Molecular Properties

Compound Name4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine
PubChem CID123953894
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine
SMILESCCc1c(N)cccc1-c1cc(N)ncc1Cl
InChIInChI=1S/C13H14ClN3/c1-2-8-9(4-3-5-12(8)15)10-6-13(16)17-7-11(10)14/h3-7H,2,15H2,1H3,(H2,16,17)
InChIKeyLGMHHALAOCZCDK-UHFFFAOYSA-N
XLogP3.13
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine?
The IUPAC name of 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine (CID 123953894) is 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine.
What is the SMILES notation for 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine?
The canonical SMILES for 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine is CCc1c(N)cccc1-c1cc(N)ncc1Cl.
What is the InChIKey of 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine?
The InChIKey is LGMHHALAOCZCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-2-8-9(4-3-5-12(8)15)10-6-13(16)17-7-11(10)14/h3-7H,2,15H2,1H3,(H2,16,17).
What are the key properties of 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine?
4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine has a molecular weight of 247.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-2-ethylphenyl)-5-chloropyridin-2-amine is sourced from PubChem (CID 123953894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).