4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol

C9H14ClN3O — CID 106840375

IUPAC4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
SMILESNc1cc(Cl)cnc1NCCCCO
InChIInChI=1S/C9H14ClN3O/c10-7-5-8(11)9(13-6-7)12-3-1-2-4-14/h5-6,14H,1-4,11H2,(H,12,13)
InChIKeyMUFDKLLNUPPUEY-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.50
Rot. Bonds5

About 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol

4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol (PubChem CID 106840375) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
PubChem CID106840375
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol
SMILESNc1cc(Cl)cnc1NCCCCO
InChIInChI=1S/C9H14ClN3O/c10-7-5-8(11)9(13-6-7)12-3-1-2-4-14/h5-6,14H,1-4,11H2,(H,12,13)
InChIKeyMUFDKLLNUPPUEY-UHFFFAOYSA-N
XLogP1.50
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(3,5-dichloro-2-pyridinyl)amino]hexan-1-ol
CID 107849091
5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479
4-[(5-chloro-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842697
5-chloro-2-N-(3-propoxypropyl)pyridine-2,3-diamine
CID 82942310
5-chloro-2-N-(3-cyclopentylpropyl)pyridine-2,3-diamine
CID 106007206
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
N-[3-[(3-amino-5-chloro-2-pyridinyl)amino]propyl]-3-methylbut-2-enamide
CID 82331231
5-(2-amino-4-chloroanilino)pentan-1-ol
CID 107316433
2-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]-2-ethylbutan-1-ol
CID 106251512
4-[(6-amino-3,5-dichloro-2-pyridinyl)amino]butan-1-ol
CID 106847028
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
N'-(3,5-dichloro-2-pyridinyl)propane-1,3-diamine
CID 14397361

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol?
The IUPAC name of 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol (CID 106840375) is 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol.
What is the SMILES notation for 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol?
The canonical SMILES for 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol is Nc1cc(Cl)cnc1NCCCCO.
What is the InChIKey of 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol?
The InChIKey is MUFDKLLNUPPUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-7-5-8(11)9(13-6-7)12-3-1-2-4-14/h5-6,14H,1-4,11H2,(H,12,13).
What are the key properties of 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol?
4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-5-chloro-2-pyridinyl)amino]butan-1-ol is sourced from PubChem (CID 106840375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).