2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile

C10H11ClFN3O — CID 86604600

IUPAC2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(CCCO)c1nc(Cl)c(C#N)cc1F
InChIInChI=1S/C10H11ClFN3O/c1-15(3-2-4-16)10-8(12)5-7(6-13)9(11)14-10/h5,16H,2-4H2,1H3
InChIKeyPFWIVBHAZKJFSI-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.56
Rot. Bonds4

About 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile

2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile (PubChem CID 86604600) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile
PubChem CID86604600
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile
SMILESCN(CCCO)c1nc(Cl)c(C#N)cc1F
InChIInChI=1S/C10H11ClFN3O/c1-15(3-2-4-16)10-8(12)5-7(6-13)9(11)14-10/h5,16H,2-4H2,1H3
InChIKeyPFWIVBHAZKJFSI-UHFFFAOYSA-N
XLogP1.56
TPSA60.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile (CID 86604600) is 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile is CN(CCCO)c1nc(Cl)c(C#N)cc1F.
What is the InChIKey of 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile?
The InChIKey is PFWIVBHAZKJFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c1-15(3-2-4-16)10-8(12)5-7(6-13)9(11)14-10/h5,16H,2-4H2,1H3.
What are the key properties of 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile?
2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile has a molecular weight of 243.67 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-6-[3-hydroxypropyl(methyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 86604600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).