3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide

C8H9ClN4O4 — CID 106178690

IUPAC3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN4O4/c9-6-2-1-4(13(16)17)8(12-6)11-3-5(14)7(10)15/h1-2,5,14H,3H2,(H2,10,15)(H,11,12)
InChIKeyVAFVIVSDPHNJNP-UHFFFAOYSA-N
MW260.64 g/mol
LogP-0.10
Rot. Bonds5

About 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide

3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide (PubChem CID 106178690) has the molecular formula C8H9ClN4O4 and a molecular weight of 260.64 g/mol. Its IUPAC name is 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
PubChem CID106178690
Molecular FormulaC8H9ClN4O4
Molecular Weight260.64 g/mol
Exact Mass260.03
IUPAC Name3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
SMILESNC(=O)C(O)CNc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN4O4/c9-6-2-1-4(13(16)17)8(12-6)11-3-5(14)7(10)15/h1-2,5,14H,3H2,(H2,10,15)(H,11,12)
InChIKeyVAFVIVSDPHNJNP-UHFFFAOYSA-N
XLogP-0.10
TPSA131.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.64
LogP ≤ 5-0.10
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

ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
3-[(6-cyano-5-nitro-2-pyridinyl)amino]-2-hydroxypropanamide
CID 106170824
6-chloro-N-(2,2-dimethylpropyl)-3-nitropyridin-2-amine
CID 61167871
2-[(6-chloro-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 43500336
3-(3-amino-4-nitroanilino)-2-hydroxypropanamide
CID 106174439
3-[(6-amino-3-nitro-2-pyridinyl)amino]-2-methylpropan-1-ol
CID 80841044
3-(2,3-difluoro-6-nitroanilino)-2-hydroxypropanamide
CID 114153466
N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015
[3-[[(6-chloro-3-nitro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 106197113
N-but-3-enyl-6-chloro-3-nitropyridin-2-amine
CID 106196186
6-chloro-N-(5-methylhexyl)-3-nitropyridin-2-amine
CID 115326770

Frequently Asked Questions

What is the IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
The IUPAC name of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide (CID 106178690) is 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide is NC(=O)C(O)CNc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
The InChIKey is VAFVIVSDPHNJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O4/c9-6-2-1-4(13(16)17)8(12-6)11-3-5(14)7(10)15/h1-2,5,14H,3H2,(H2,10,15)(H,11,12).
What are the key properties of 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide?
3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide has a molecular weight of 260.64 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloro-3-nitro-2-pyridinyl)amino]-2-hydroxypropanamide is sourced from PubChem (CID 106178690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).