2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide

C9H10ClN3O4 — CID 103885996

IUPAC2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
SMILESC[C@H](O)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c1-5(14)3-12-9(15)6-2-8(10)11-4-7(6)13(16)17/h2,4-5,14H,3H2,1H3,(H,12,15)/t5-/m0/s1
InChIKeyNRLWMYFYDGYNRD-YFKPBYRVSA-N
MW259.65 g/mol
LogP0.75
Rot. Bonds4

About 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide

2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide (PubChem CID 103885996) has the molecular formula C9H10ClN3O4 and a molecular weight of 259.65 g/mol. Its IUPAC name is 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
PubChem CID103885996
Molecular FormulaC9H10ClN3O4
Molecular Weight259.65 g/mol
Exact Mass259.04
IUPAC Name2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide
SMILESC[C@H](O)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C9H10ClN3O4/c1-5(14)3-12-9(15)6-2-8(10)11-4-7(6)13(16)17/h2,4-5,14H,3H2,1H3,(H,12,15)/t5-/m0/s1
InChIKeyNRLWMYFYDGYNRD-YFKPBYRVSA-N
XLogP0.75
TPSA105.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.65
LogP ≤ 50.75
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

2-chloro-N-(2-ethoxypropyl)-5-nitropyridine-4-carboxamide
CID 113251137
2-chloro-N-(2,2-dimethylpropyl)-5-nitropyridine-4-carboxamide
CID 113250953
N-butyl-2-chloro-5-nitropyridine-4-carboxamide
CID 103730741
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-5-nitropyridine-4-carboxamide
CID 103732129
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitropyridine-4-carboxamide
CID 103730707
5-bromo-N-(2-hydroxypropyl)-2-nitropyridine-4-carboxamide
CID 114194173
2-chloro-5-nitro-N-(1,3-thiazol-5-ylmethyl)pyridine-4-carboxamide
CID 104583556
2-chloro-N-[1-(hydroxymethyl)cyclopropyl]-5-nitropyridine-4-carboxamide
CID 103881089
2-chloro-N-(cyanomethyl)-5-nitro-N-propan-2-ylpyridine-4-carboxamide
CID 103758649
2-chloro-N-(1-cyclobutylethyl)-5-nitropyridine-4-carboxamide
CID 113338565
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103733781
2-chloro-N-[(1-methylpyrrol-2-yl)methyl]-5-nitropyridine-4-carboxamide
CID 103734127

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide (CID 103885996) is 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide is C[C@H](O)CNC(=O)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide?
The InChIKey is NRLWMYFYDGYNRD-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H10ClN3O4/c1-5(14)3-12-9(15)6-2-8(10)11-4-7(6)13(16)17/h2,4-5,14H,3H2,1H3,(H,12,15)/t5-/m0/s1.
What are the key properties of 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide?
2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide has a molecular weight of 259.65 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2S)-2-hydroxypropyl]-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103885996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).