6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine

C11H17ClN4 — CID 24903988

IUPAC6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCCN1CCCC1
InChIInChI=1S/C11H17ClN4/c12-10-4-3-9(13)11(15-10)14-5-8-16-6-1-2-7-16/h3-4H,1-2,5-8,13H2,(H,14,15)
InChIKeyRDRKVIJXBLUKHX-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.82
Rot. Bonds4

About 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine

6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine (PubChem CID 24903988) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
PubChem CID24903988
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCCN1CCCC1
InChIInChI=1S/C11H17ClN4/c12-10-4-3-9(13)11(15-10)14-5-8-16-6-1-2-7-16/h3-4H,1-2,5-8,13H2,(H,14,15)
InChIKeyRDRKVIJXBLUKHX-UHFFFAOYSA-N
XLogP1.82
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.82
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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Related Compounds

6-methyl-2-N-(2-piperidin-1-ylethyl)pyridine-2,3-diamine
CID 81132438
6-methyl-2-N-[2-(4-methylpiperazin-1-yl)ethyl]pyridine-2,3-diamine
CID 81131482
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-N-(2-pyrrolidin-1-ylethyl)pyridazin-3-amine
CID 60674018
6-chloro-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,3-diamine
CID 113316874
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
3-chloro-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 62634309
3,5,6-trichloro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 102750717
N-[2-(azepan-1-yl)ethyl]-3-chloropyridin-2-amine
CID 61241551

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine (CID 24903988) is 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1NCCN1CCCC1.
What is the InChIKey of 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine?
The InChIKey is RDRKVIJXBLUKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-10-4-3-9(13)11(15-10)14-5-8-16-6-1-2-7-16/h3-4H,1-2,5-8,13H2,(H,14,15).
What are the key properties of 6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine?
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine has a molecular weight of 240.74 g/mol, XLogP of 1.82, 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-pyrrolidin-1-ylethyl)pyridine-2,3-diamine is sourced from PubChem (CID 24903988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).