2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile

C11H14ClN3O2 — CID 106248382

IUPAC2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
SMILESCOCC(O)CCNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-17-7-9(16)2-3-14-11-5-8(6-13)4-10(12)15-11/h4-5,9,16H,2-3,7H2,1H3,(H,14,15)
InChIKeyBMBQGTRXWUXYEQ-UHFFFAOYSA-N
MW255.70 g/mol
LogP1.42
Rot. Bonds6

About 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile

2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile (PubChem CID 106248382) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
PubChem CID106248382
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
SMILESCOCC(O)CCNc1cc(C#N)cc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-17-7-9(16)2-3-14-11-5-8(6-13)4-10(12)15-11/h4-5,9,16H,2-3,7H2,1H3,(H,14,15)
InChIKeyBMBQGTRXWUXYEQ-UHFFFAOYSA-N
XLogP1.42
TPSA78.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(3-hydroxybutylamino)pyridine-4-carbonitrile
CID 83077171
2-chloro-6-(3,3-difluoropropylamino)pyridine-4-carbonitrile
CID 130839313
4-[(6-chloropyrimidin-4-yl)amino]-1-methoxybutan-2-ol
CID 106248398
3-bromo-5-[(3-hydroxy-4-methoxybutyl)amino]benzonitrile
CID 114163749
2-chloro-6-[2-(2-methylprop-2-enoxy)ethylamino]pyridine-4-carbonitrile
CID 106196869
3-amino-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-2-carbonitrile
CID 106243451
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
CID 107854040
4-[1-[(3-hydroxy-4-methoxybutyl)amino]ethyl]benzonitrile
CID 103922135
2-[2-[(6-chloro-4-cyano-2-pyridinyl)amino]ethoxy]acetamide
CID 106240014
2-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carbonitrile
CID 83074583
1-methoxy-4-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 106248740

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile (CID 106248382) is 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile is COCC(O)CCNc1cc(C#N)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile?
The InChIKey is BMBQGTRXWUXYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-17-7-9(16)2-3-14-11-5-8(6-13)4-10(12)15-11/h4-5,9,16H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile?
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile has a molecular weight of 255.70 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 106248382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).