2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile

C10H9ClN2 — CID 175761427

IUPAC2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile
SMILESC[C@@H]1C[C@H]1c1ccc(C#N)c(Cl)n1
InChIInChI=1S/C10H9ClN2/c1-6-4-8(6)9-3-2-7(5-12)10(11)13-9/h2-3,6,8H,4H2,1H3/t6-,8-/m1/s1
InChIKeyLOKUGZPZQPPGCF-HTRCEHHLSA-N
MW192.65 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile

2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile (PubChem CID 175761427) has the molecular formula C10H9ClN2 and a molecular weight of 192.65 g/mol. Its IUPAC name is 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile
PubChem CID175761427
Molecular FormulaC10H9ClN2
Molecular Weight192.65 g/mol
Exact Mass192.05
IUPAC Name2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile
SMILESC[C@@H]1C[C@H]1c1ccc(C#N)c(Cl)n1
InChIInChI=1S/C10H9ClN2/c1-6-4-8(6)9-3-2-7(5-12)10(11)13-9/h2-3,6,8H,4H2,1H3/t6-,8-/m1/s1
InChIKeyLOKUGZPZQPPGCF-HTRCEHHLSA-N
XLogP2.73
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 52.73
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-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile?
The IUPAC name of 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile (CID 175761427) is 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile is C[C@@H]1C[C@H]1c1ccc(C#N)c(Cl)n1.
What is the InChIKey of 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile?
The InChIKey is LOKUGZPZQPPGCF-HTRCEHHLSA-N. The full InChI is InChI=1S/C10H9ClN2/c1-6-4-8(6)9-3-2-7(5-12)10(11)13-9/h2-3,6,8H,4H2,1H3/t6-,8-/m1/s1.
What are the key properties of 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile?
2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile has a molecular weight of 192.65 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(1R,2R)-2-methylcyclopropyl]pyridine-3-carbonitrile is sourced from PubChem (CID 175761427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).