[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate

C16H16ClNO2 — CID 76958497

IUPAC[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate
SMILESCC(C)[C@@H](OC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3/t15-/m1/s1
InChIKeyXPPXHQUWVYMTDM-OAHLLOKOSA-N
MW289.76 g/mol
LogP4.29
Rot. Bonds4

About [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate

[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate (PubChem CID 76958497) has the molecular formula C16H16ClNO2 and a molecular weight of 289.76 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate
PubChem CID76958497
Molecular FormulaC16H16ClNO2
Molecular Weight289.76 g/mol
Exact Mass289.09
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate
SMILESCC(C)[C@@H](OC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3/t15-/m1/s1
InChIKeyXPPXHQUWVYMTDM-OAHLLOKOSA-N
XLogP4.29
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-3-yl 2-(4-chlorophenyl)-3-methylbutanoate
CID 174421603
[(2R)-1-(3,5-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2386320
(111C)methyl pyridine-3-carboxylate
CID 11309537
(propan-2-ylamino) pyridine-3-carboxylate
CID 144881639
methyl 3-(4-chlorophenyl)-3-(pyridine-3-carbonylamino)propanoate
CID 45139943
[1-(3,4-dichloroanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 23773848
ethane;5-methylhexan-3-yl pyridine-3-carboxylate
CID 153333067
azane;pyridine-3-carbonyl pyridine-3-carboxylate
CID 174932870
1-pyridin-4-ylethyl pyridine-3-carboperoxoate
CID 140551609
2-(4-chlorophenyl)-3-methyl-N-pyridin-3-ylbutanamide
CID 46226142
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 2355110
[(2R)-1-anilino-1-oxopropan-2-yl] pyridine-3-carboxylate
CID 9413930

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate (CID 76958497) is [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate is CC(C)[C@@H](OC(=O)c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate?
The InChIKey is XPPXHQUWVYMTDM-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16ClNO2/c1-11(2)15(12-5-7-14(17)8-6-12)20-16(19)13-4-3-9-18-10-13/h3-11,15H,1-2H3/t15-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate?
[(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate has a molecular weight of 289.76 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-methylpropyl] pyridine-3-carboxylate is sourced from PubChem (CID 76958497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).