6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine

C9H15ClN4 — CID 24903980

IUPAC6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
SMILESCN(C)CCNc1nc(Cl)ccc1N
InChIInChI=1S/C9H15ClN4/c1-14(2)6-5-12-9-7(11)3-4-8(10)13-9/h3-4H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyROZJYLMHMRFBPW-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.29
Rot. Bonds4

About 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine

6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine (PubChem CID 24903980) has the molecular formula C9H15ClN4 and a molecular weight of 214.70 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
PubChem CID24903980
Molecular FormulaC9H15ClN4
Molecular Weight214.70 g/mol
Exact Mass214.10
IUPAC Name6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
SMILESCN(C)CCNc1nc(Cl)ccc1N
InChIInChI=1S/C9H15ClN4/c1-14(2)6-5-12-9-7(11)3-4-8(10)13-9/h3-4H,5-6,11H2,1-2H3,(H,12,13)
InChIKeyROZJYLMHMRFBPW-UHFFFAOYSA-N
XLogP1.29
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.29
H-Bond Donors ≤ 52
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-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine (CID 24903980) is 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine is CN(C)CCNc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
The InChIKey is ROZJYLMHMRFBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4/c1-14(2)6-5-12-9-7(11)3-4-8(10)13-9/h3-4H,5-6,11H2,1-2H3,(H,12,13).
What are the key properties of 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine has a molecular weight of 214.70 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 24903980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).