N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide

C11H14ClN3O5 — CID 170830684

IUPACN-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc([N+](=O)[O-])c(Cl)nc1C
InChIInChI=1S/C11H14ClN3O5/c1-5-7(3-8(15(19)20)11(12)14-5)10(18)9(17)4-13-6(2)16/h3,9-10,17-18H,4H2,1-2H3,(H,13,16)
InChIKeyCUVTZELDMSKOTG-UHFFFAOYSA-N
MW303.70 g/mol
LogP0.48
Rot. Bonds5

About N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide

N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170830684) has the molecular formula C11H14ClN3O5 and a molecular weight of 303.70 g/mol. Its IUPAC name is N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170830684
Molecular FormulaC11H14ClN3O5
Molecular Weight303.70 g/mol
Exact Mass303.06
IUPAC NameN-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1cc([N+](=O)[O-])c(Cl)nc1C
InChIInChI=1S/C11H14ClN3O5/c1-5-7(3-8(15(19)20)11(12)14-5)10(18)9(17)4-13-6(2)16/h3,9-10,17-18H,4H2,1-2H3,(H,13,16)
InChIKeyCUVTZELDMSKOTG-UHFFFAOYSA-N
XLogP0.48
TPSA125.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.70
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899800
1-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874718
N-[3-(2-fluoro-4-methyl-5-nitrophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830726
N-[3-(6-amino-4-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830782
N-[3-(6-amino-2-methyl-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829714
N-[2,3-dihydroxy-3-(2-methoxy-5-nitro-3-pyridinyl)propyl]acetamide
CID 170830706
N-[2,3-dihydroxy-3-(2,3,5-trichlorophenyl)propyl]acetamide
CID 170829873
N-[3-(4-chloro-2,6-dimethylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170829889
N-[3-(2-chloro-4-methoxypyrimidin-5-yl)-2,3-dihydroxypropyl]acetamide
CID 170830052
5-bromo-2-chloro-6-methyl-3-nitropyridine
CID 10610778
N-[2,3-dihydroxy-3-(2,4,5-trifluorophenyl)propyl]acetamide
CID 170829875
N-[3-(4-amino-2,6-dichlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830135

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide (CID 170830684) is N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1cc([N+](=O)[O-])c(Cl)nc1C.
What is the InChIKey of N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is CUVTZELDMSKOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O5/c1-5-7(3-8(15(19)20)11(12)14-5)10(18)9(17)4-13-6(2)16/h3,9-10,17-18H,4H2,1-2H3,(H,13,16).
What are the key properties of N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 303.70 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170830684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).