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

C11H14ClN5 — CID 114143853

IUPAC6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCn1ccc(CCNc2nc(Cl)ccc2N)n1
InChIInChI=1S/C11H14ClN5/c1-17-7-5-8(16-17)4-6-14-11-9(13)2-3-10(12)15-11/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)
InChIKeyRIMLRCGJZCNNMT-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.71
Rot. Bonds4

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

6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine (PubChem CID 114143853) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
PubChem CID114143853
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
SMILESCn1ccc(CCNc2nc(Cl)ccc2N)n1
InChIInChI=1S/C11H14ClN5/c1-17-7-5-8(16-17)4-6-14-11-9(13)2-3-10(12)15-11/h2-3,5,7H,4,6,13H2,1H3,(H,14,15)
InChIKeyRIMLRCGJZCNNMT-UHFFFAOYSA-N
XLogP1.71
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.71
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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Related Compounds

6-methoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143844
5-amino-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-2-carboxylic acid
CID 106106239
3-chloro-5,6-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 106106127
5-methyl-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106104117
3,5-dichloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-2-amine
CID 114144034
6-ethoxy-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106104031
2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2,6-diamine
CID 104626530
6-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106106717
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-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
2-chloro-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridin-4-amine
CID 104626521

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine (CID 114143853) is 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine is Cn1ccc(CCNc2nc(Cl)ccc2N)n1.
What is the InChIKey of 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is RIMLRCGJZCNNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-17-7-5-8(16-17)4-6-14-11-9(13)2-3-10(12)15-11/h2-3,5,7H,4,6,13H2,1H3,(H,14,15).
What are the key properties of 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 251.72 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 114143853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).