6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine

C11H18ClN3O2 — CID 114097569

IUPAC6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
SMILESCOCCOCCCNc1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O2/c1-16-7-8-17-6-2-5-14-11-9(13)3-4-10(12)15-11/h3-4H,2,5-8,13H2,1H3,(H,14,15)
InChIKeyKFEKZPILEUTOPC-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.78
Rot. Bonds8

About 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine

6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine (PubChem CID 114097569) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
PubChem CID114097569
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine
SMILESCOCCOCCCNc1nc(Cl)ccc1N
InChIInChI=1S/C11H18ClN3O2/c1-16-7-8-17-6-2-5-14-11-9(13)3-4-10(12)15-11/h3-4H,2,5-8,13H2,1H3,(H,14,15)
InChIKeyKFEKZPILEUTOPC-UHFFFAOYSA-N
XLogP1.78
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-6-[4-(2-methoxyethoxy)butylamino]pyridine-2-carboxamide
CID 114407848
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
5-amino-6-(4-methoxybutylamino)pyridine-2-carboxamide
CID 114406169
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
5-amino-6-(5-methoxypentylamino)pyridine-2-carboxamide
CID 114131934
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
2-(3-butoxypropylamino)-6-chloropyridine-3-carboxylic acid
CID 113481133
6-chloro-N-(3-methoxypropyl)-3-nitropyridin-2-amine
CID 43153390
6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
3,5-dichloro-2-N-ethyl-6-N-[4-(2-methoxyethoxy)butyl]pyridine-2,6-diamine
CID 102759816
4-chloro-5-fluoro-1-N-[3-(2-methoxyethoxy)propyl]benzene-1,2-diamine
CID 114097566

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine (CID 114097569) is 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine is COCCOCCCNc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine?
The InChIKey is KFEKZPILEUTOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-16-7-8-17-6-2-5-14-11-9(13)3-4-10(12)15-11/h3-4H,2,5-8,13H2,1H3,(H,14,15).
What are the key properties of 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine?
6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine has a molecular weight of 259.74 g/mol, XLogP of 1.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[3-(2-methoxyethoxy)propyl]pyridine-2,3-diamine is sourced from PubChem (CID 114097569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).