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

C8H12ClN3O — CID 79021487

IUPAC5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
SMILESCOCCNc1ncc(Cl)cc1N
InChIInChI=1S/C8H12ClN3O/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3,10H2,1H3,(H,11,12)
InChIKeyCJXHUTLDRDHFNP-UHFFFAOYSA-N
MW201.66 g/mol
LogP1.38
Rot. Bonds4

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

5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine (PubChem CID 79021487) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
PubChem CID79021487
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Name5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
SMILESCOCCNc1ncc(Cl)cc1N
InChIInChI=1S/C8H12ClN3O/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3,10H2,1H3,(H,11,12)
InChIKeyCJXHUTLDRDHFNP-UHFFFAOYSA-N
XLogP1.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.38
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-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479
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
N'-(3-bromo-5-chloro-2-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 114836386
5-amino-6-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carbonitrile
CID 103468093
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
CID 106007206
2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 66281077
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
N-[3-[(3-amino-5-chloro-2-pyridinyl)amino]propyl]-3-methylbut-2-enamide
CID 82331231
4-N-[(2-chlorophenyl)methyl]-6-N-(2-methoxyethyl)pyrimidine-4,5,6-triamine
CID 19150506
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
N-[2-(2-aminoethoxy)ethyl]-3,5-dichloropyridin-2-amine
CID 63766858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine?
The IUPAC name of 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine (CID 79021487) is 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine.
What is the SMILES notation for 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine?
The canonical SMILES for 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine is COCCNc1ncc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine?
The InChIKey is CJXHUTLDRDHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClN3O/c1-13-3-2-11-8-7(10)4-6(9)5-12-8/h4-5H,2-3,10H2,1H3,(H,11,12).
What are the key properties of 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine?
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine has a molecular weight of 201.66 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine is sourced from PubChem (CID 79021487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).