tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

C14H21ClN2O5 — CID 170832220

IUPACtert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ncc(Cl)cc1C(O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN2O5/c1-14(2,3)22-13(20)17-7-10(18)11(19)9-5-8(15)6-16-12(9)21-4/h5-6,10-11,18-19H,7H2,1-4H3,(H,17,20)
InChIKeyNFAWBCQYHUFEPB-UHFFFAOYSA-N
MW332.78 g/mol
LogP1.66
Rot. Bonds5

About tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170832220) has the molecular formula C14H21ClN2O5 and a molecular weight of 332.78 g/mol. Its IUPAC name is tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID170832220
Molecular FormulaC14H21ClN2O5
Molecular Weight332.78 g/mol
Exact Mass332.11
IUPAC Nametert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ncc(Cl)cc1C(O)C(O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C14H21ClN2O5/c1-14(2,3)22-13(20)17-7-10(18)11(19)9-5-8(15)6-16-12(9)21-4/h5-6,10-11,18-19H,7H2,1-4H3,(H,17,20)
InChIKeyNFAWBCQYHUFEPB-UHFFFAOYSA-N
XLogP1.66
TPSA100.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.78
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[3-(2,4-dimethoxypyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170832495
4-chloro-2-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]benzoic acid
CID 170832394
tert-butyl N-[3-(2-amino-5-chloro-3-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170832186
tert-butyl N-[3-(2-chloro-5-cyano-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170832083
tert-butyl N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831537
tert-butyl N-[3-(2-fluoro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170831836
tert-butyl N-[2,3-dihydroxy-3-(2-methoxy-4-methylphenyl)propyl]carbamate
CID 170832048
1-(5-chloro-2-methoxy-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874197
tert-butyl N-[3-(4-chloro-2,6-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833329
methyl 5-[1,2-dihydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrimidine-2-carboxylate
CID 170832490
tert-butyl N-[3-(2,5-difluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170831686
tert-butyl N-(2,3-dihydroxy-3-pyrimidin-2-ylpropyl)carbamate
CID 170831522

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 170832220) is tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is COc1ncc(Cl)cc1C(O)C(O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is NFAWBCQYHUFEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O5/c1-14(2,3)22-13(20)17-7-10(18)11(19)9-5-8(15)6-16-12(9)21-4/h5-6,10-11,18-19H,7H2,1-4H3,(H,17,20).
What are the key properties of tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 332.78 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(5-chloro-2-methoxy-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170832220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).