4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine

C13H13ClN4 — CID 121326283

IUPAC4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccnc(NC)c1
InChIInChI=1S/C13H13ClN4/c1-17-13-4-8(2-3-18-13)10-5-9(14)6-12(16)11(10)7-15/h2-7,15H,16H2,1H3,(H,17,18)/b15-7+
InChIKeyOUFNBYBWLWSPHO-VIZOYTHASA-N
MW260.73 g/mol
LogP3.02
Rot. Bonds3

About 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine

4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine (PubChem CID 121326283) has the molecular formula C13H13ClN4 and a molecular weight of 260.73 g/mol. Its IUPAC name is 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine
PubChem CID121326283
Molecular FormulaC13H13ClN4
Molecular Weight260.73 g/mol
Exact Mass260.08
IUPAC Name4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine
SMILES[H]/N=C/c1c(N)cc(Cl)cc1-c1ccnc(NC)c1
InChIInChI=1S/C13H13ClN4/c1-17-13-4-8(2-3-18-13)10-5-9(14)6-12(16)11(10)7-15/h2-7,15H,16H2,1H3,(H,17,18)/b15-7+
InChIKeyOUFNBYBWLWSPHO-VIZOYTHASA-N
XLogP3.02
TPSA74.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine?
The IUPAC name of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine (CID 121326283) is 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine?
The canonical SMILES for 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine is [H]/N=C/c1c(N)cc(Cl)cc1-c1ccnc(NC)c1.
What is the InChIKey of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine?
The InChIKey is OUFNBYBWLWSPHO-VIZOYTHASA-N. The full InChI is InChI=1S/C13H13ClN4/c1-17-13-4-8(2-3-18-13)10-5-9(14)6-12(16)11(10)7-15/h2-7,15H,16H2,1H3,(H,17,18)/b15-7+.
What are the key properties of 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine?
4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine has a molecular weight of 260.73 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-5-chloro-2-methanimidoylphenyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 121326283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).