methyl 4-chloro-6-phenylpyridine-2-carboxylate

C13H10ClNO2 — CID 12784958

IUPACmethyl 4-chloro-6-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C13H10ClNO2/c1-17-13(16)12-8-10(14)7-11(15-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyVYZCWYPTTHXGQO-UHFFFAOYSA-N
MW247.68 g/mol
LogP3.19
Rot. Bonds2

About methyl 4-chloro-6-phenylpyridine-2-carboxylate

methyl 4-chloro-6-phenylpyridine-2-carboxylate (PubChem CID 12784958) has the molecular formula C13H10ClNO2 and a molecular weight of 247.68 g/mol. Its IUPAC name is methyl 4-chloro-6-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-chloro-6-phenylpyridine-2-carboxylate
PubChem CID12784958
Molecular FormulaC13H10ClNO2
Molecular Weight247.68 g/mol
Exact Mass247.04
IUPAC Namemethyl 4-chloro-6-phenylpyridine-2-carboxylate
SMILESCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C13H10ClNO2/c1-17-13(16)12-8-10(14)7-11(15-12)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyVYZCWYPTTHXGQO-UHFFFAOYSA-N
XLogP3.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.68
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
methyl 4-chloro-6-(2-methoxyphenyl)pyridine-2-carboxylate
CID 12784965
7-chloro-2-phenylquinoline-4-carboxylic acid;deuterium monohydride;methyl 7-chloro-2-phenylquinoline-4-carboxylate
CID 159549627
methyl 6-amino-4-phenylpyridine-2-carboxylate
CID 133098299
methyl 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carboxylate
CID 82635947
carbon dioxide;methyl 4-chloro-6-methylpyridine-2-carboxylate
CID 158534965
methyl 4-ethoxy-6-phenylpyridine-2-carboxylate;2-phenylacetamide
CID 20537542
methyl 1-(4-chlorophenyl)isoquinoline-3-carboxylate
CID 131843858
methyl 6-(benzylamino)-2-chloropyrimidine-4-carboxylate
CID 87563470
ethane;methyl 6-(hydroxymethyl)-4-phenylpyridine-2-carboxylate
CID 142291792
4-chloro-2-iodo-6-phenylpyridine
CID 118799955
methyl 2-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-phenylpyrimidine-4-carboxylate
CID 71732471

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-6-phenylpyridine-2-carboxylate?
The IUPAC name of methyl 4-chloro-6-phenylpyridine-2-carboxylate (CID 12784958) is methyl 4-chloro-6-phenylpyridine-2-carboxylate.
What is the SMILES notation for methyl 4-chloro-6-phenylpyridine-2-carboxylate?
The canonical SMILES for methyl 4-chloro-6-phenylpyridine-2-carboxylate is COC(=O)c1cc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of methyl 4-chloro-6-phenylpyridine-2-carboxylate?
The InChIKey is VYZCWYPTTHXGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO2/c1-17-13(16)12-8-10(14)7-11(15-12)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of methyl 4-chloro-6-phenylpyridine-2-carboxylate?
methyl 4-chloro-6-phenylpyridine-2-carboxylate has a molecular weight of 247.68 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 12784958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).