2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile

C12H16ClN3O — CID 107854040

IUPAC2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCCCCCCO)c1
InChIInChI=1S/C12H16ClN3O/c13-11-7-10(9-14)8-12(16-11)15-5-3-1-2-4-6-17/h7-8,17H,1-6H2,(H,15,16)
InChIKeyQUPQJRZDTINBLM-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.57
Rot. Bonds7

About 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile

2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile (PubChem CID 107854040) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
PubChem CID107854040
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile
SMILESN#Cc1cc(Cl)nc(NCCCCCCO)c1
InChIInChI=1S/C12H16ClN3O/c13-11-7-10(9-14)8-12(16-11)15-5-3-1-2-4-6-17/h7-8,17H,1-6H2,(H,15,16)
InChIKeyQUPQJRZDTINBLM-UHFFFAOYSA-N
XLogP2.57
TPSA68.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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
2-chloro-6-[3-(N-methylanilino)propylamino]pyridine-4-carbonitrile
CID 83077592
2-chloro-6-[(2,3-dihydroxy-2-methylpropyl)amino]pyridine-4-carbonitrile
CID 83076925
5-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]pentan-1-ol
CID 107318321
2-chloro-6-(2-methylprop-2-enylamino)pyridine-4-carbonitrile
CID 106196714
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
2-chloro-6-(3,3-dichloroprop-2-enylamino)pyridine-4-carbonitrile
CID 164646266
2-(2-bromoprop-2-enylamino)-6-chloropyridine-4-carbonitrile
CID 106195561
4-[(2-tert-butyl-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 106842915
2-chloro-6-[2-[di(propan-2-yl)amino]ethylamino]pyridine-4-carbonitrile
CID 83073946
2-chloro-6-[(3-hydroxy-4-methoxybutyl)amino]pyridine-4-carbonitrile
CID 106248382

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile?
The IUPAC name of 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile (CID 107854040) is 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile.
What is the SMILES notation for 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile?
The canonical SMILES for 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile is N#Cc1cc(Cl)nc(NCCCCCCO)c1.
What is the InChIKey of 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile?
The InChIKey is QUPQJRZDTINBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-11-7-10(9-14)8-12(16-11)15-5-3-1-2-4-6-17/h7-8,17H,1-6H2,(H,15,16).
What are the key properties of 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile?
2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile has a molecular weight of 253.73 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(6-hydroxyhexylamino)pyridine-4-carbonitrile is sourced from PubChem (CID 107854040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).