4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile

C10H11ClN2O2 — CID 171900665

IUPAC4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1cc(C(O)C(O)CC#N)cnc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-6-4-7(5-13-10(6)11)9(15)8(14)2-3-12/h4-5,8-9,14-15H,2H2,1H3
InChIKeyKCLSBDFAOREZLR-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.35
Rot. Bonds3

About 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile

4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile (PubChem CID 171900665) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile.

Molecular Properties

Compound Name4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
PubChem CID171900665
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile
SMILESCc1cc(C(O)C(O)CC#N)cnc1Cl
InChIInChI=1S/C10H11ClN2O2/c1-6-4-7(5-13-10(6)11)9(15)8(14)2-3-12/h4-5,8-9,14-15H,2H2,1H3
InChIKeyKCLSBDFAOREZLR-UHFFFAOYSA-N
XLogP1.35
TPSA77.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-(6-chloro-5-methyl-3-pyridinyl)butane-1,2-diol
CID 171880956
4-(5-chloro-6-methoxy-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171901068
4-(5-chloro-6-fluoro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900712
(1S,2R)-2-amino-1-(6-chloro-5-methyl-3-pyridinyl)propan-1-ol
CID 131124378
1-(6-chloro-5-methyl-3-pyridinyl)-4-(methylamino)butane-1,2-diol
CID 171889916
(2R)-2-[(S)-(6-chloro-5-methyl-3-pyridinyl)-hydroxymethyl]pent-4-ynoic acid
CID 122674358
4-(4-bromo-3-methylphenyl)-3,4-dihydroxybutanenitrile
CID 171902029
ethyl 4-(6-chloro-5-cyano-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897347
4-(5-amino-3-methyl-2-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171900636
5-(4-chloro-1,2-dihydroxybutyl)-3-methylpyridine-2-carbonitrile
CID 171893773
4-(5-bromo-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171902022
5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carbonitrile
CID 171900618

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile?
The IUPAC name of 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile (CID 171900665) is 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile.
What is the SMILES notation for 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile?
The canonical SMILES for 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile is Cc1cc(C(O)C(O)CC#N)cnc1Cl.
What is the InChIKey of 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile?
The InChIKey is KCLSBDFAOREZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6-4-7(5-13-10(6)11)9(15)8(14)2-3-12/h4-5,8-9,14-15H,2H2,1H3.
What are the key properties of 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile?
4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile has a molecular weight of 226.66 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-methyl-3-pyridinyl)-3,4-dihydroxybutanenitrile is sourced from PubChem (CID 171900665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).