2-chloro-6-ethylpyridine-3,5-diamine

C7H10ClN3 — CID 105435020

IUPAC2-chloro-6-ethylpyridine-3,5-diamine
SMILESCCc1nc(Cl)c(N)cc1N
InChIInChI=1S/C7H10ClN3/c1-2-6-4(9)3-5(10)7(8)11-6/h3H,2,9-10H2,1H3
InChIKeyOCLKLFQWXABFQC-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.46
Rot. Bonds1

About 2-chloro-6-ethylpyridine-3,5-diamine

2-chloro-6-ethylpyridine-3,5-diamine (PubChem CID 105435020) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 2-chloro-6-ethylpyridine-3,5-diamine.

Molecular Properties

Compound Name2-chloro-6-ethylpyridine-3,5-diamine
PubChem CID105435020
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name2-chloro-6-ethylpyridine-3,5-diamine
SMILESCCc1nc(Cl)c(N)cc1N
InChIInChI=1S/C7H10ClN3/c1-2-6-4(9)3-5(10)7(8)11-6/h3H,2,9-10H2,1H3
InChIKeyOCLKLFQWXABFQC-UHFFFAOYSA-N
XLogP1.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-chloro-6-ethylpyridine-3,5-diamine?
The IUPAC name of 2-chloro-6-ethylpyridine-3,5-diamine (CID 105435020) is 2-chloro-6-ethylpyridine-3,5-diamine.
What is the SMILES notation for 2-chloro-6-ethylpyridine-3,5-diamine?
The canonical SMILES for 2-chloro-6-ethylpyridine-3,5-diamine is CCc1nc(Cl)c(N)cc1N.
What is the InChIKey of 2-chloro-6-ethylpyridine-3,5-diamine?
The InChIKey is OCLKLFQWXABFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-2-6-4(9)3-5(10)7(8)11-6/h3H,2,9-10H2,1H3.
What are the key properties of 2-chloro-6-ethylpyridine-3,5-diamine?
2-chloro-6-ethylpyridine-3,5-diamine has a molecular weight of 171.63 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethylpyridine-3,5-diamine is sourced from PubChem (CID 105435020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).