tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid

C17H19ClN2O3 — CID 68955432

IUPACtert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid
SMILESCOc1ccccc1-c1cc(Cl)cc(N(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,3)20(16(21)22)15-10-11(18)9-13(19-15)12-7-5-6-8-14(12)23-4/h5-10H,1-4H3,(H,21,22)
InChIKeySIEOOQJHTRGFFU-UHFFFAOYSA-N
MW334.80 g/mol
LogP4.69
Rot. Bonds3

About tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid

tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid (PubChem CID 68955432) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid
PubChem CID68955432
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC Nametert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid
SMILESCOc1ccccc1-c1cc(Cl)cc(N(C(=O)O)C(C)(C)C)n1
InChIInChI=1S/C17H19ClN2O3/c1-17(2,3)20(16(21)22)15-10-11(18)9-13(19-15)12-7-5-6-8-14(12)23-4/h5-10H,1-4H3,(H,21,22)
InChIKeySIEOOQJHTRGFFU-UHFFFAOYSA-N
XLogP4.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid?
The IUPAC name of tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid (CID 68955432) is tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid.
What is the SMILES notation for tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid?
The canonical SMILES for tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid is COc1ccccc1-c1cc(Cl)cc(N(C(=O)O)C(C)(C)C)n1.
What is the InChIKey of tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid?
The InChIKey is SIEOOQJHTRGFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-17(2,3)20(16(21)22)15-10-11(18)9-13(19-15)12-7-5-6-8-14(12)23-4/h5-10H,1-4H3,(H,21,22).
What are the key properties of tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid?
tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid has a molecular weight of 334.80 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-chloro-6-(2-methoxyphenyl)-2-pyridinyl]carbamic acid is sourced from PubChem (CID 68955432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).