6-chloro-4-N,4-N-diethylpyridine-3,4-diamine

C9H14ClN3 — CID 115021883

IUPAC6-chloro-4-N,4-N-diethylpyridine-3,4-diamine
SMILESCCN(CC)c1cc(Cl)ncc1N
InChIInChI=1S/C9H14ClN3/c1-3-13(4-2)8-5-9(10)12-6-7(8)11/h5-6H,3-4,11H2,1-2H3
InChIKeyJKBWKVJETGASRX-UHFFFAOYSA-N
MW199.69 g/mol
LogP2.16
Rot. Bonds3

About 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine

6-chloro-4-N,4-N-diethylpyridine-3,4-diamine (PubChem CID 115021883) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N,4-N-diethylpyridine-3,4-diamine
PubChem CID115021883
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name6-chloro-4-N,4-N-diethylpyridine-3,4-diamine
SMILESCCN(CC)c1cc(Cl)ncc1N
InChIInChI=1S/C9H14ClN3/c1-3-13(4-2)8-5-9(10)12-6-7(8)11/h5-6H,3-4,11H2,1-2H3
InChIKeyJKBWKVJETGASRX-UHFFFAOYSA-N
XLogP2.16
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-iodopyridin-3-amine
CID 18407040
2-N-ethyl-2-N-propylpyridine-2,4,5-triamine
CID 144872693
2-(5-amino-2-chloro-4-pyridinyl)ethanol
CID 88537888
2-N,2-N-diethyl-4-fluorobenzene-1,2-diamine
CID 62376405
6-chloro-N-ethyl-N-propylpyridazin-4-amine
CID 114478465
2-N,2-N-diethyl-5-methylpyridine-2,4-diamine
CID 83265884
2,5-dichloropyridin-4-amine;hydrochloride
CID 134128726
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
5-chloro-2-N,2-N-diethylpyrimidine-2,4-diamine
CID 84669787
4-N,4-N-diethyl-1H-pyrazole-4,5-diamine
CID 82236212
(4-amino-6-chloro-3-pyridinyl)methanol
CID 21073390
4-chloro-N,N-diethyl-2-methylaniline
CID 57028815

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine?
The IUPAC name of 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine (CID 115021883) is 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine.
What is the SMILES notation for 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine?
The canonical SMILES for 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine is CCN(CC)c1cc(Cl)ncc1N.
What is the InChIKey of 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine?
The InChIKey is JKBWKVJETGASRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3/c1-3-13(4-2)8-5-9(10)12-6-7(8)11/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine?
6-chloro-4-N,4-N-diethylpyridine-3,4-diamine has a molecular weight of 199.69 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N,4-N-diethylpyridine-3,4-diamine is sourced from PubChem (CID 115021883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).