5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine

C9H14ClN3O — CID 79021479

IUPAC5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
SMILESCOCCCNc1ncc(Cl)cc1N
InChIInChI=1S/C9H14ClN3O/c1-14-4-2-3-12-9-8(11)5-7(10)6-13-9/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyOZXPHEVEOLPUMZ-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.77
Rot. Bonds5

About 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine

5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine (PubChem CID 79021479) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
PubChem CID79021479
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
SMILESCOCCCNc1ncc(Cl)cc1N
InChIInChI=1S/C9H14ClN3O/c1-14-4-2-3-12-9-8(11)5-7(10)6-13-9/h5-6H,2-4,11H2,1H3,(H,12,13)
InChIKeyOZXPHEVEOLPUMZ-UHFFFAOYSA-N
XLogP1.77
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
CID 82942310
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
CID 106840375
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
CID 106007206
N-[3-[(3-amino-5-chloro-2-pyridinyl)amino]propyl]-3-methylbut-2-enamide
CID 82331231
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
4-N-(3,4-dichlorophenyl)-6-N-(3-methoxypropyl)pyrimidine-4,5,6-triamine
CID 22546817
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 66281077
4-N-(3-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 80772369
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
3,5-dichloro-N-(4-propan-2-yloxybutyl)pyridin-2-amine
CID 114137188

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine (CID 79021479) is 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine is COCCCNc1ncc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
The InChIKey is OZXPHEVEOLPUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-14-4-2-3-12-9-8(11)5-7(10)6-13-9/h5-6H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine?
5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine has a molecular weight of 215.68 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine is sourced from PubChem (CID 79021479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).