tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate

C15H15ClN2O2 — CID 139447976

IUPACtert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2cnccc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-15(2,3)20-14(19)10-4-7-18-13(8-10)11-9-17-6-5-12(11)16/h4-9H,1-3H3
InChIKeyOSNLMNNCDLFDKM-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.75
Rot. Bonds2

About tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate

tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate (PubChem CID 139447976) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate
PubChem CID139447976
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Nametert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc(-c2cnccc2Cl)c1
InChIInChI=1S/C15H15ClN2O2/c1-15(2,3)20-14(19)10-4-7-18-13(8-10)11-9-17-6-5-12(11)16/h4-9H,1-3H3
InChIKeyOSNLMNNCDLFDKM-UHFFFAOYSA-N
XLogP3.75
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(3-phenyl-4-pyridinyl)benzoate
CID 174627980
tert-butyl 2-imidazo[1,2-a]pyridin-8-ylpyridine-4-carboxylate
CID 139447783
tert-butyl 2-thiophen-3-ylpyridine-4-carboxylate
CID 139447971
methyl 2-(2,3,4-trichlorophenyl)pyridine-4-carboxylate
CID 134636687
tert-butyl pyridine-3-carboxylate;ethane
CID 174774588
tert-butyl 2-(aminomethyl)pyridine-4-carboxylate
CID 114325005
tert-butyl 5-chloro-6-methoxypyridine-3-carboxylate
CID 133063146
tert-butyl 2-imidazo[1,2-b]pyridazin-3-ylpyridine-4-carboxylate
CID 139447993
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
tert-butyl 2-bromo-4-chloropyridine-3-carboxylate
CID 166524653
tert-butyl 2-[(2-chlorothiophen-3-yl)amino]pyridine-4-carboxylate
CID 141274158
tert-butyl 2-[(1R)-1-aminopropyl]pyridine-4-carboxylate
CID 66935363

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate (CID 139447976) is tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate is CC(C)(C)OC(=O)c1ccnc(-c2cnccc2Cl)c1.
What is the InChIKey of tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate?
The InChIKey is OSNLMNNCDLFDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-15(2,3)20-14(19)10-4-7-18-13(8-10)11-9-17-6-5-12(11)16/h4-9H,1-3H3.
What are the key properties of tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate?
tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate has a molecular weight of 290.75 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(4-chloro-3-pyridinyl)pyridine-4-carboxylate is sourced from PubChem (CID 139447976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).