propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate

C15H14ClNO2 — CID 102503459

IUPACpropan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(Cl)c(-c2ccccc2)n1
InChIInChI=1S/C15H14ClNO2/c1-10(2)19-15(18)13-9-8-12(16)14(17-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQUUVEVOEJYXQRY-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.97
Rot. Bonds3

About propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate

propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate (PubChem CID 102503459) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate
PubChem CID102503459
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Namepropan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(Cl)c(-c2ccccc2)n1
InChIInChI=1S/C15H14ClNO2/c1-10(2)19-15(18)13-9-8-12(16)14(17-13)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyQUUVEVOEJYXQRY-UHFFFAOYSA-N
XLogP3.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate?
The IUPAC name of propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate (CID 102503459) is propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate?
The canonical SMILES for propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate is CC(C)OC(=O)c1ccc(Cl)c(-c2ccccc2)n1.
What is the InChIKey of propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate?
The InChIKey is QUUVEVOEJYXQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-10(2)19-15(18)13-9-8-12(16)14(17-13)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate?
propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate has a molecular weight of 275.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-chloro-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 102503459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).