4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde

C15H14ClNO3 — CID 157193010

IUPAC4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(CC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C15H14ClNO3/c16-12-3-1-2-11(8-12)14(19)5-4-10-6-7-17-15(20)13(10)9-18/h1-3,6-9,14,19H,4-5H2,(H,17,20)/t14-/m1/s1
InChIKeyAPXOJCAPDVEQHN-CQSZACIVSA-N
MW291.73 g/mol
LogP2.51
Rot. Bonds5

About 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde

4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde (PubChem CID 157193010) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde
PubChem CID157193010
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde
SMILESO=Cc1c(CC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O
InChIInChI=1S/C15H14ClNO3/c16-12-3-1-2-11(8-12)14(19)5-4-10-6-7-17-15(20)13(10)9-18/h1-3,6-9,14,19H,4-5H2,(H,17,20)/t14-/m1/s1
InChIKeyAPXOJCAPDVEQHN-CQSZACIVSA-N
XLogP2.51
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde?
The IUPAC name of 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde (CID 157193010) is 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde.
What is the SMILES notation for 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde?
The canonical SMILES for 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde is O=Cc1c(CC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O.
What is the InChIKey of 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde?
The InChIKey is APXOJCAPDVEQHN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-12-3-1-2-11(8-12)14(19)5-4-10-6-7-17-15(20)13(10)9-18/h1-3,6-9,14,19H,4-5H2,(H,17,20)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde?
4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde has a molecular weight of 291.73 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-oxo-1H-pyridine-3-carbaldehyde is sourced from PubChem (CID 157193010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).