ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate

C16H18ClNO2 — CID 143874733

IUPACethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
SMILESCC.CCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C14H12ClNO2.C2H6/c1-2-18-14(17)13-9-11(15)8-12(16-13)10-6-4-3-5-7-10;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeySUZPTNXIXNRAKL-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.60
Rot. Bonds3

About ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate

ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate (PubChem CID 143874733) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate.

Molecular Properties

Compound Nameethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
PubChem CID143874733
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Nameethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
SMILESCC.CCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1
InChIInChI=1S/C14H12ClNO2.C2H6/c1-2-18-14(17)13-9-11(15)8-12(16-13)10-6-4-3-5-7-10;1-2/h3-9H,2H2,1H3;1-2H3
InChIKeySUZPTNXIXNRAKL-UHFFFAOYSA-N
XLogP4.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 12784958
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
CID 134840915
ethyl 6-chloro-4-phenylquinoline-2-carboxylate
CID 53355070
ethyl 4-chloro-6-[3-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-4-oxobut-1-ynyl]phenyl]pyridine-2-carboxylate
CID 130268166
ethyl 4-chloro-6-(chloromethyl)pyridine-2-carboxylate
CID 122609392
ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate
CID 143442535
(4-chloro-6-ethoxycarbonyl-2-pyridinyl)methylcarbamic acid
CID 175211532
ethyl 2-chloro-4-phenylcyclohepta[b]pyrrole-3-carboxylate
CID 10519135
ethyl 7-(4-chlorophenyl)-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 42877153
diethyl 5,7-dichloroquinoline-2,4-dicarboxylate
CID 19747565
ethyl 7-(3,4-difluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 164946423

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate?
The IUPAC name of ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate (CID 143874733) is ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate.
What is the SMILES notation for ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate?
The canonical SMILES for ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate is CC.CCOC(=O)c1cc(Cl)cc(-c2ccccc2)n1.
What is the InChIKey of ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate?
The InChIKey is SUZPTNXIXNRAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2.C2H6/c1-2-18-14(17)13-9-11(15)8-12(16-13)10-6-4-3-5-7-10;1-2/h3-9H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate?
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate has a molecular weight of 291.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate is sourced from PubChem (CID 143874733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).