(2R)-2-(3-chloro-5-formylphenyl)propanenitrile

C10H8ClNO — CID 164915085

IUPAC(2R)-2-(3-chloro-5-formylphenyl)propanenitrile
SMILESC[C@@H](C#N)c1cc(Cl)cc(C=O)c1
InChIInChI=1S/C10H8ClNO/c1-7(5-12)9-2-8(6-13)3-10(11)4-9/h2-4,6-7H,1H3/t7-/m0/s1
InChIKeyVQLJMMSYFQCXDU-ZETCQYMHSA-N
MW193.63 g/mol
LogP2.78
Rot. Bonds2

About (2R)-2-(3-chloro-5-formylphenyl)propanenitrile

(2R)-2-(3-chloro-5-formylphenyl)propanenitrile (PubChem CID 164915085) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is (2R)-2-(3-chloro-5-formylphenyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-(3-chloro-5-formylphenyl)propanenitrile
PubChem CID164915085
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name(2R)-2-(3-chloro-5-formylphenyl)propanenitrile
SMILESC[C@@H](C#N)c1cc(Cl)cc(C=O)c1
InChIInChI=1S/C10H8ClNO/c1-7(5-12)9-2-8(6-13)3-10(11)4-9/h2-4,6-7H,1H3/t7-/m0/s1
InChIKeyVQLJMMSYFQCXDU-ZETCQYMHSA-N
XLogP2.78
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-chloro-5-propan-2-yloxybenzaldehyde
CID 131540218
3-(3-amino-1,2-dihydroxypropyl)-5-chlorobenzaldehyde
CID 170827955
2-(3-chloro-4-methoxy-5-methylphenyl)propanenitrile
CID 84781012
2-(3,5-dichlorophenyl)propanal
CID 54061579
3-chloro-5-(methylamino)benzaldehyde
CID 59897653
2-(3-fluoro-5-propan-2-ylphenyl)propanenitrile
CID 84771980
1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene
CID 67988300
2-(3-chloro-5-fluoro-4-methoxyphenyl)propanenitrile
CID 130135021
2-(4-chloro-3-nitrophenyl)propanenitrile
CID 15558037
3-(1-fluoroethyl)benzaldehyde
CID 83856182
(2R)-2-(6-chloro-3-pyridinyl)propanenitrile
CID 95169683
2,6-dibromo-4-formylbenzonitrile
CID 163366052

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-5-formylphenyl)propanenitrile?
The IUPAC name of (2R)-2-(3-chloro-5-formylphenyl)propanenitrile (CID 164915085) is (2R)-2-(3-chloro-5-formylphenyl)propanenitrile.
What is the SMILES notation for (2R)-2-(3-chloro-5-formylphenyl)propanenitrile?
The canonical SMILES for (2R)-2-(3-chloro-5-formylphenyl)propanenitrile is C[C@@H](C#N)c1cc(Cl)cc(C=O)c1.
What is the InChIKey of (2R)-2-(3-chloro-5-formylphenyl)propanenitrile?
The InChIKey is VQLJMMSYFQCXDU-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H8ClNO/c1-7(5-12)9-2-8(6-13)3-10(11)4-9/h2-4,6-7H,1H3/t7-/m0/s1.
What are the key properties of (2R)-2-(3-chloro-5-formylphenyl)propanenitrile?
(2R)-2-(3-chloro-5-formylphenyl)propanenitrile has a molecular weight of 193.63 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-5-formylphenyl)propanenitrile is sourced from PubChem (CID 164915085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).