N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide

C13H10ClN3O4 — CID 104820323

IUPACN-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O4/c14-11-6-5-9(17(20)21)13(15-11)16-12(19)7-8-3-1-2-4-10(8)18/h1-6,18H,7H2,(H,15,16,19)
InChIKeyXDDTUYWJIKGSEN-UHFFFAOYSA-N
MW307.69 g/mol
LogP2.53
Rot. Bonds4

About N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide

N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide (PubChem CID 104820323) has the molecular formula C13H10ClN3O4 and a molecular weight of 307.69 g/mol. Its IUPAC name is N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
PubChem CID104820323
Molecular FormulaC13H10ClN3O4
Molecular Weight307.69 g/mol
Exact Mass307.04
IUPAC NameN-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide
SMILESO=C(Cc1ccccc1O)Nc1nc(Cl)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H10ClN3O4/c14-11-6-5-9(17(20)21)13(15-11)16-12(19)7-8-3-1-2-4-10(8)18/h1-6,18H,7H2,(H,15,16,19)
InChIKeyXDDTUYWJIKGSEN-UHFFFAOYSA-N
XLogP2.53
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

N-(6-chloro-3-nitro-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 113456785
2-(2-chlorophenyl)-N-(6-methoxy-3-nitro-2-pyridinyl)acetamide
CID 141373266
N-(6-chloro-3-nitro-2-pyridinyl)-3-methoxypropanamide
CID 104820229
N-(6-chloro-3-nitro-2-pyridinyl)-4-hydroxybenzamide
CID 104820312
N-(6-chloro-3-nitro-2-pyridinyl)-2-iodobenzamide
CID 104820266
N-(6-chloro-3-nitro-2-pyridinyl)-2-fluorobenzamide
CID 115576061
N-(6-chloro-3-nitro-2-pyridinyl)-3-propoxypropanamide
CID 104820473
N-(6-chloro-3-nitro-2-pyridinyl)-4-ethoxybutanamide
CID 104820471
N-(6-chloro-3-nitro-2-pyridinyl)-2-(1,2,4-triazol-1-yl)acetamide
CID 104820358
N-(6-chloro-3-nitro-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 104820352
N-(6-chloro-3-nitro-2-pyridinyl)but-2-ynamide
CID 107996143
N-(6-chloro-3-nitro-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 113456796

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide?
The IUPAC name of N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide (CID 104820323) is N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide.
What is the SMILES notation for N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide?
The canonical SMILES for N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide is O=C(Cc1ccccc1O)Nc1nc(Cl)ccc1[N+](=O)[O-].
What is the InChIKey of N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide?
The InChIKey is XDDTUYWJIKGSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O4/c14-11-6-5-9(17(20)21)13(15-11)16-12(19)7-8-3-1-2-4-10(8)18/h1-6,18H,7H2,(H,15,16,19).
What are the key properties of N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide?
N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide has a molecular weight of 307.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-nitro-2-pyridinyl)-2-(2-hydroxyphenyl)acetamide is sourced from PubChem (CID 104820323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).