2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile

C10H11ClN2 — CID 12508535

IUPAC2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C10H11ClN2/c1-7(2)5-9-4-3-8(6-12)10(11)13-9/h3-4,7H,5H2,1-2H3
InChIKeyDLWNSWQKGJZWIP-UHFFFAOYSA-N
MW194.66 g/mol
LogP2.81
Rot. Bonds2

About 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile

2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile (PubChem CID 12508535) has the molecular formula C10H11ClN2 and a molecular weight of 194.66 g/mol. Its IUPAC name is 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile
PubChem CID12508535
Molecular FormulaC10H11ClN2
Molecular Weight194.66 g/mol
Exact Mass194.06
IUPAC Name2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile
SMILESCC(C)Cc1ccc(C#N)c(Cl)n1
InChIInChI=1S/C10H11ClN2/c1-7(2)5-9-4-3-8(6-12)10(11)13-9/h3-4,7H,5H2,1-2H3
InChIKeyDLWNSWQKGJZWIP-UHFFFAOYSA-N
XLogP2.81
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.66
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-6-(2-methylpropyl)pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile (CID 12508535) is 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile is CC(C)Cc1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile?
The InChIKey is DLWNSWQKGJZWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c1-7(2)5-9-4-3-8(6-12)10(11)13-9/h3-4,7H,5H2,1-2H3.
What are the key properties of 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile?
2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile has a molecular weight of 194.66 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylpropyl)pyridine-3-carbonitrile is sourced from PubChem (CID 12508535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).