(2R)-2-(6-chloro-3-pyridinyl)propanenitrile

C8H7ClN2 — CID 95169683

IUPAC(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
SMILESC[C@@H](C#N)c1ccc(Cl)nc1
InChIInChI=1S/C8H7ClN2/c1-6(4-10)7-2-3-8(9)11-5-7/h2-3,5-6H,1H3/t6-/m0/s1
InChIKeyHQRZFRSRCUTJSZ-LURJTMIESA-N
MW166.61 g/mol
LogP2.36
Rot. Bonds1

About (2R)-2-(6-chloro-3-pyridinyl)propanenitrile

(2R)-2-(6-chloro-3-pyridinyl)propanenitrile (PubChem CID 95169683) has the molecular formula C8H7ClN2 and a molecular weight of 166.61 g/mol. Its IUPAC name is (2R)-2-(6-chloro-3-pyridinyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
PubChem CID95169683
Molecular FormulaC8H7ClN2
Molecular Weight166.61 g/mol
Exact Mass166.03
IUPAC Name(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
SMILESC[C@@H](C#N)c1ccc(Cl)nc1
InChIInChI=1S/C8H7ClN2/c1-6(4-10)7-2-3-8(9)11-5-7/h2-3,5-6H,1H3/t6-/m0/s1
InChIKeyHQRZFRSRCUTJSZ-LURJTMIESA-N
XLogP2.36
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.61
LogP ≤ 52.36
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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Related Compounds

3-(6-chloro-3-pyridinyl)butan-2-ylidenecyanamide
CID 90755673
2-(6-chloro-3-pyridinyl)-3-cyclopropylpropanenitrile
CID 86716184
2-chloro-5-pentan-3-ylpyridine
CID 134459618
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961
2-(6-chloro-3-pyridinyl)-2,3-dimethylbutanenitrile
CID 87171702
(2S)-2-(4-iodophenyl)propanenitrile
CID 135394754
1-(6-chloro-3-pyridinyl)-2,2-dimethylpropan-1-amine
CID 130041973
2-(8-bromo-3-chloroisoquinolin-5-yl)propanenitrile
CID 170554262
2-(6-chloro-3-pyridinyl)-2-morpholin-4-ylacetonitrile
CID 90219831
(1R)-1-(6-chloro-3-pyridinyl)propan-1-amine
CID 55278839
2-chloro-5-methylpyridine;1,1-dichloroethane
CID 163849047

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloro-3-pyridinyl)propanenitrile?
The IUPAC name of (2R)-2-(6-chloro-3-pyridinyl)propanenitrile (CID 95169683) is (2R)-2-(6-chloro-3-pyridinyl)propanenitrile.
What is the SMILES notation for (2R)-2-(6-chloro-3-pyridinyl)propanenitrile?
The canonical SMILES for (2R)-2-(6-chloro-3-pyridinyl)propanenitrile is C[C@@H](C#N)c1ccc(Cl)nc1.
What is the InChIKey of (2R)-2-(6-chloro-3-pyridinyl)propanenitrile?
The InChIKey is HQRZFRSRCUTJSZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H7ClN2/c1-6(4-10)7-2-3-8(9)11-5-7/h2-3,5-6H,1H3/t6-/m0/s1.
What are the key properties of (2R)-2-(6-chloro-3-pyridinyl)propanenitrile?
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile has a molecular weight of 166.61 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloro-3-pyridinyl)propanenitrile is sourced from PubChem (CID 95169683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).