benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

C16H16Cl2N2O4 — CID 171855676

IUPACbenzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1c(Cl)ccnc1Cl)OCc1ccccc1
InChIInChI=1S/C16H16Cl2N2O4/c17-11-6-7-19-15(18)13(11)14(22)12(21)8-20-16(23)24-9-10-4-2-1-3-5-10/h1-7,12,14,21-22H,8-9H2,(H,20,23)
InChIKeyUDSUFDBEMUATRZ-UHFFFAOYSA-N
MW371.22 g/mol
LogP2.71
Rot. Bonds6

About benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855676) has the molecular formula C16H16Cl2N2O4 and a molecular weight of 371.22 g/mol. Its IUPAC name is benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855676
Molecular FormulaC16H16Cl2N2O4
Molecular Weight371.22 g/mol
Exact Mass370.05
IUPAC Namebenzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1c(Cl)ccnc1Cl)OCc1ccccc1
InChIInChI=1S/C16H16Cl2N2O4/c17-11-6-7-19-15(18)13(11)14(22)12(21)8-20-16(23)24-9-10-4-2-1-3-5-10/h1-7,12,14,21-22H,8-9H2,(H,20,23)
InChIKeyUDSUFDBEMUATRZ-UHFFFAOYSA-N
XLogP2.71
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.22
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 171857053
benzyl N-[3-(1-chloroisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856690
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
benzyl N-[3-(2-chloro-5-methyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855641
benzyl N-[3-(3-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857226
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855595
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
benzyl N-[3-(4-chloro-3-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855821
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
CID 171856350
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
benzyl N-[3-(3-acetyl-4-chlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856244

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 171855676) is benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1c(Cl)ccnc1Cl)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is UDSUFDBEMUATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4/c17-11-6-7-19-15(18)13(11)14(22)12(21)8-20-16(23)24-9-10-4-2-1-3-5-10/h1-7,12,14,21-22H,8-9H2,(H,20,23).
What are the key properties of benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 371.22 g/mol, XLogP of 2.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).