4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol

C9H12Cl2N2O — CID 130660409

IUPAC4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1nc(Cl)ccc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-6(14)4-5-12-9-7(10)2-3-8(11)13-9/h2-3,6,14H,4-5H2,1H3,(H,12,13)
InChIKeyRHOWWHHFZWEEFA-UHFFFAOYSA-N
MW235.11 g/mol
LogP2.57
Rot. Bonds4

About 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol

4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol (PubChem CID 130660409) has the molecular formula C9H12Cl2N2O and a molecular weight of 235.11 g/mol. Its IUPAC name is 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol
PubChem CID130660409
Molecular FormulaC9H12Cl2N2O
Molecular Weight235.11 g/mol
Exact Mass234.03
IUPAC Name4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol
SMILESCC(O)CCNc1nc(Cl)ccc1Cl
InChIInChI=1S/C9H12Cl2N2O/c1-6(14)4-5-12-9-7(10)2-3-8(11)13-9/h2-3,6,14H,4-5H2,1H3,(H,12,13)
InChIKeyRHOWWHHFZWEEFA-UHFFFAOYSA-N
XLogP2.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol
CID 131067653
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]butan-2-ol
CID 79073499
4-[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]butan-2-ol
CID 64910682
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]butan-2-ol
CID 53410038
3-chloro-2-(3-hydroxybutylamino)pyridine-4-carboxylic acid
CID 107062727
6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
CID 115474112
5-[[5-chloro-2-(ethylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 114148675
2-[(3-bromo-6-chloro-2-pyridinyl)amino]ethanol
CID 167350764
2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol?
The IUPAC name of 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol (CID 130660409) is 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol.
What is the SMILES notation for 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol?
The canonical SMILES for 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol is CC(O)CCNc1nc(Cl)ccc1Cl.
What is the InChIKey of 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol?
The InChIKey is RHOWWHHFZWEEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N2O/c1-6(14)4-5-12-9-7(10)2-3-8(11)13-9/h2-3,6,14H,4-5H2,1H3,(H,12,13).
What are the key properties of 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol?
4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol has a molecular weight of 235.11 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dichloro-2-pyridinyl)amino]butan-2-ol is sourced from PubChem (CID 130660409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).