6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

C11H14ClN5 — CID 114286323

IUPAC6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCC(Nc1nc(Cl)ccc1N)c1cnn(C)c1
InChIInChI=1S/C11H14ClN5/c1-7(8-5-14-17(2)6-8)15-11-9(13)3-4-10(12)16-11/h3-7H,13H2,1-2H3,(H,15,16)
InChIKeyVYBDLJGIXHCXQG-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.22
Rot. Bonds3

About 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine

6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (PubChem CID 114286323) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
PubChem CID114286323
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
SMILESCC(Nc1nc(Cl)ccc1N)c1cnn(C)c1
InChIInChI=1S/C11H14ClN5/c1-7(8-5-14-17(2)6-8)15-11-9(13)3-4-10(12)16-11/h3-7H,13H2,1-2H3,(H,15,16)
InChIKeyVYBDLJGIXHCXQG-UHFFFAOYSA-N
XLogP2.22
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine (CID 114286323) is 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is CC(Nc1nc(Cl)ccc1N)c1cnn(C)c1.
What is the InChIKey of 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is VYBDLJGIXHCXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-7(8-5-14-17(2)6-8)15-11-9(13)3-4-10(12)16-11/h3-7H,13H2,1-2H3,(H,15,16).
What are the key properties of 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 251.72 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[1-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 114286323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).