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

C11H17ClN2O — CID 103757100

IUPAC3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10(4-6-15)14-9-3-5-13-11(12)7-9/h3,5,7-8,10,15H,4,6H2,1-2H3,(H,13,14)
InChIKeyVGYCXTSFOMEXKW-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.55
Rot. Bonds5

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

3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol (PubChem CID 103757100) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
PubChem CID103757100
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol
SMILESCC(C)C(CCO)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H17ClN2O/c1-8(2)10(4-6-15)14-9-3-5-13-11(12)7-9/h3,5,7-8,10,15H,4,6H2,1-2H3,(H,13,14)
InChIKeyVGYCXTSFOMEXKW-UHFFFAOYSA-N
XLogP2.55
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.55
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

3-[(2-amino-4-pyridinyl)amino]-4-methylpentan-1-ol
CID 106358019
2-chloro-N-(1-ethoxy-3-methylbutan-2-yl)pyridin-4-amine
CID 103269905
2-chloro-N-(4-methylpentan-2-yl)pyridin-4-amine
CID 115486493
(2S)-3-methyl-2-[(2-methyl-4-pyridinyl)amino]butan-1-ol
CID 114985818
3-[(6-amino-3-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348304
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827
4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
CID 103696577
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
2-[(2-chloro-4-pyridinyl)amino]-2-phenylethanol
CID 103721804
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
ethyl 2-[(2-chloro-4-pyridinyl)amino]propanoate
CID 102824081
4-methyl-3-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-1-ol
CID 103736616

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol (CID 103757100) is 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol is CC(C)C(CCO)Nc1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol?
The InChIKey is VGYCXTSFOMEXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8(2)10(4-6-15)14-9-3-5-13-11(12)7-9/h3,5,7-8,10,15H,4,6H2,1-2H3,(H,13,14).
What are the key properties of 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol?
3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)amino]-4-methylpentan-1-ol is sourced from PubChem (CID 103757100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).