3,6-dichloropyridin-2-amine

C5H4Cl2N2 — CID 3613425

IUPAC3,6-dichloropyridin-2-amine
SMILESNc1nc(Cl)ccc1Cl
InChIInChI=1S/C5H4Cl2N2/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H2,8,9)
InChIKeyURVRCFABAVMFKP-UHFFFAOYSA-N
MW163.01 g/mol
LogP1.97
Rot. Bonds

About 3,6-dichloropyridin-2-amine

3,6-dichloropyridin-2-amine (PubChem CID 3613425) has the molecular formula C5H4Cl2N2 and a molecular weight of 163.01 g/mol. Its IUPAC name is 3,6-dichloropyridin-2-amine.

Molecular Properties

Compound Name3,6-dichloropyridin-2-amine
PubChem CID3613425
Molecular FormulaC5H4Cl2N2
Molecular Weight163.01 g/mol
Exact Mass161.98
IUPAC Name3,6-dichloropyridin-2-amine
SMILESNc1nc(Cl)ccc1Cl
InChIInChI=1S/C5H4Cl2N2/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H2,8,9)
InChIKeyURVRCFABAVMFKP-UHFFFAOYSA-N
XLogP1.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.01
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-Diaminopyridine
CID 8861
2,6-Dichloropyridine
CID 16989
2-Amino-5-chloropyridine
CID 66174
2,3,6-Trichloropyridine
CID 23016
2-Amino-3-chloropyridine
CID 693267
2-Amino-4-chloropyridine
CID 581866
2-Amino-6-chloropyridine
CID 206246
2-Chloro-6-hydrazinopyridine
CID 320004
2-Amino-3,5-dichloro-6-methylpyridine
CID 1415863
3,5-Dichloro-3-pyridylamine
CID 77886
5-chloro-N-methylpyridin-2-amine
CID 3837024
6-Chloropyridine-2,3-diamine
CID 10630615

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridin-2-amine?
The IUPAC name of 3,6-dichloropyridin-2-amine (CID 3613425) is 3,6-dichloropyridin-2-amine.
What is the SMILES notation for 3,6-dichloropyridin-2-amine?
The canonical SMILES for 3,6-dichloropyridin-2-amine is Nc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridin-2-amine?
The InChIKey is URVRCFABAVMFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2N2/c6-3-1-2-4(7)9-5(3)8/h1-2H,(H2,8,9).
What are the key properties of 3,6-dichloropyridin-2-amine?
3,6-dichloropyridin-2-amine has a molecular weight of 163.01 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridin-2-amine is sourced from PubChem (CID 3613425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).