6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine

C10H11ClN4 — CID 129011481

IUPAC6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine
SMILESCc1cc(Cl)nc(Nc2cn(C)cn2)c1
InChIInChI=1S/C10H11ClN4/c1-7-3-8(11)13-9(4-7)14-10-5-15(2)6-12-10/h3-6H,1-2H3,(H,13,14)
InChIKeyRHNSIFVCQHJGQK-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.52
Rot. Bonds2

About 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine

6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine (PubChem CID 129011481) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine
PubChem CID129011481
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine
SMILESCc1cc(Cl)nc(Nc2cn(C)cn2)c1
InChIInChI=1S/C10H11ClN4/c1-7-3-8(11)13-9(4-7)14-10-5-15(2)6-12-10/h3-6H,1-2H3,(H,13,14)
InChIKeyRHNSIFVCQHJGQK-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine?
The IUPAC name of 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine (CID 129011481) is 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine?
The canonical SMILES for 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine is Cc1cc(Cl)nc(Nc2cn(C)cn2)c1.
What is the InChIKey of 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine?
The InChIKey is RHNSIFVCQHJGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7-3-8(11)13-9(4-7)14-10-5-15(2)6-12-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine?
6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine has a molecular weight of 222.68 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-methyl-N-(1-methylimidazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 129011481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).