4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide

C12H16ClIN4O — CID 164969463

IUPAC4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide
SMILESCc1c[nH]c(=O)cc1N.Cc1cnc(Cl)cc1N.I
InChIInChI=1S/C6H7ClN2.C6H8N2O.HI/c1-4-3-9-6(7)2-5(4)8;1-4-3-8-6(9)2-5(4)7;/h2-3H,1H3,(H2,8,9);2-3H,1H3,(H3,7,8,9);1H
InChIKeySQZZZQUAYVWWLV-UHFFFAOYSA-N
MW394.64 g/mol
LogP2.51
Rot. Bonds

About 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide

4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide (PubChem CID 164969463) has the molecular formula C12H16ClIN4O and a molecular weight of 394.64 g/mol. Its IUPAC name is 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide.

Molecular Properties

Compound Name4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide
PubChem CID164969463
Molecular FormulaC12H16ClIN4O
Molecular Weight394.64 g/mol
Exact Mass394.01
IUPAC Name4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide
SMILESCc1c[nH]c(=O)cc1N.Cc1cnc(Cl)cc1N.I
InChIInChI=1S/C6H7ClN2.C6H8N2O.HI/c1-4-3-9-6(7)2-5(4)8;1-4-3-8-6(9)2-5(4)7;/h2-3H,1H3,(H2,8,9);2-3H,1H3,(H3,7,8,9);1H
InChIKeySQZZZQUAYVWWLV-UHFFFAOYSA-N
XLogP2.51
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide?
The IUPAC name of 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide (CID 164969463) is 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide.
What is the SMILES notation for 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide?
The canonical SMILES for 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide is Cc1c[nH]c(=O)cc1N.Cc1cnc(Cl)cc1N.I.
What is the InChIKey of 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide?
The InChIKey is SQZZZQUAYVWWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.C6H8N2O.HI/c1-4-3-9-6(7)2-5(4)8;1-4-3-8-6(9)2-5(4)7;/h2-3H,1H3,(H2,8,9);2-3H,1H3,(H3,7,8,9);1H.
What are the key properties of 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide?
4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide has a molecular weight of 394.64 g/mol, XLogP of 2.51, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-1H-pyridin-2-one;2-chloro-5-methylpyridin-4-amine;hydroiodide is sourced from PubChem (CID 164969463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).