2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine

C10H11ClN4 — CID 10443561

IUPAC2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine
SMILESClc1cc(NCCc2cnc[nH]2)ccn1
InChIInChI=1S/C10H11ClN4/c11-10-5-8(1-4-14-10)13-3-2-9-6-12-7-15-9/h1,4-7H,2-3H2,(H,12,15)(H,13,14)
InChIKeyQLGOKEZXJJBXJV-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.11
Rot. Bonds4

About 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine

2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine (PubChem CID 10443561) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine
PubChem CID10443561
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine
SMILESClc1cc(NCCc2cnc[nH]2)ccn1
InChIInChI=1S/C10H11ClN4/c11-10-5-8(1-4-14-10)13-3-2-9-6-12-7-15-9/h1,4-7H,2-3H2,(H,12,15)(H,13,14)
InChIKeyQLGOKEZXJJBXJV-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine (CID 10443561) is 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine is Clc1cc(NCCc2cnc[nH]2)ccn1.
What is the InChIKey of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine?
The InChIKey is QLGOKEZXJJBXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-10-5-8(1-4-14-10)13-3-2-9-6-12-7-15-9/h1,4-7H,2-3H2,(H,12,15)(H,13,14).
What are the key properties of 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine?
2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine has a molecular weight of 222.68 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridin-4-amine is sourced from PubChem (CID 10443561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).