5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine

C9H9ClN4 — CID 141371895

IUPAC5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1-c1nc[nH]c1Cl
InChIInChI=1S/C9H9ClN4/c1-5-2-7(11)12-3-6(5)8-9(10)14-4-13-8/h2-4H,1H3,(H2,11,12)(H,13,14)
InChIKeyCSWXVPDHECPTBU-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.02
Rot. Bonds1

About 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine

5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine (PubChem CID 141371895) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine
PubChem CID141371895
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1-c1nc[nH]c1Cl
InChIInChI=1S/C9H9ClN4/c1-5-2-7(11)12-3-6(5)8-9(10)14-4-13-8/h2-4H,1H3,(H2,11,12)(H,13,14)
InChIKeyCSWXVPDHECPTBU-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine?
The IUPAC name of 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine (CID 141371895) is 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine is Cc1cc(N)ncc1-c1nc[nH]c1Cl.
What is the InChIKey of 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine?
The InChIKey is CSWXVPDHECPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-5-2-7(11)12-3-6(5)8-9(10)14-4-13-8/h2-4H,1H3,(H2,11,12)(H,13,14).
What are the key properties of 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine?
5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine has a molecular weight of 208.65 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1H-imidazol-4-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 141371895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).