4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide

C10H12ClN3O5 — CID 171899800

IUPAC4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide
SMILESCc1nc(Cl)c([N+](=O)[O-])cc1C(O)C(O)CC(N)=O
InChIInChI=1S/C10H12ClN3O5/c1-4-5(9(17)7(15)3-8(12)16)2-6(14(18)19)10(11)13-4/h2,7,9,15,17H,3H2,1H3,(H2,12,16)
InChIKeyPYHGQKMUDKEAKC-UHFFFAOYSA-N
MW289.68 g/mol
LogP0.22
Rot. Bonds5

About 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide

4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide (PubChem CID 171899800) has the molecular formula C10H12ClN3O5 and a molecular weight of 289.68 g/mol. Its IUPAC name is 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide.

Molecular Properties

Compound Name4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide
PubChem CID171899800
Molecular FormulaC10H12ClN3O5
Molecular Weight289.68 g/mol
Exact Mass289.05
IUPAC Name4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide
SMILESCc1nc(Cl)c([N+](=O)[O-])cc1C(O)C(O)CC(N)=O
InChIInChI=1S/C10H12ClN3O5/c1-4-5(9(17)7(15)3-8(12)16)2-6(14(18)19)10(11)13-4/h2,7,9,15,17H,3H2,1H3,(H2,12,16)
InChIKeyPYHGQKMUDKEAKC-UHFFFAOYSA-N
XLogP0.22
TPSA139.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.68
LogP ≤ 50.22
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

1-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-4-sulfanylbutane-1,2-diol
CID 171874718
N-[3-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170830684
4-(2,4-dimethyl-5-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899858
4-(4-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899617
4-(5-chloro-2-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899616
4-(5-fluoro-2-methyl-3-nitrophenyl)-3,4-dihydroxybutanamide
CID 171899844
3,4-dihydroxy-4-(4-methyl-3-nitrophenyl)butanamide
CID 171899653
3,4-dihydroxy-4-(2-methyl-3-nitrophenyl)butanamide
CID 171899655
4-(2,4-dimethyl-6-nitrophenyl)-3,4-dihydroxybutanamide
CID 171900328
4-(6-amino-2-chloro-5-nitro-3-pyridinyl)-3,4-dihydroxybutanenitrile
CID 171901686
4-(4-amino-1,2-dihydroxy-4-oxobutyl)-5-fluoro-2-nitrobenzoic acid
CID 171900130
ethyl 3-(6-amino-2-chloro-5-nitro-3-pyridinyl)-2,3-dihydroxypropanoate
CID 171866820

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide?
The IUPAC name of 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide (CID 171899800) is 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide.
What is the SMILES notation for 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide?
The canonical SMILES for 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide is Cc1nc(Cl)c([N+](=O)[O-])cc1C(O)C(O)CC(N)=O.
What is the InChIKey of 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide?
The InChIKey is PYHGQKMUDKEAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O5/c1-4-5(9(17)7(15)3-8(12)16)2-6(14(18)19)10(11)13-4/h2,7,9,15,17H,3H2,1H3,(H2,12,16).
What are the key properties of 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide?
4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide has a molecular weight of 289.68 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-methyl-5-nitro-3-pyridinyl)-3,4-dihydroxybutanamide is sourced from PubChem (CID 171899800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).