2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide

C8H9ClN4O3 — CID 83014753

IUPAC2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
SMILESCN(C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN4O3/c1-12(2)11-8(14)5-3-4-10-7(9)6(5)13(15)16/h3-4H,1-2H3,(H,11,14)
InChIKeyDOLIGUQIEZIILO-UHFFFAOYSA-N
MW244.64 g/mol
LogP0.85
Rot. Bonds3

About 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide

2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide (PubChem CID 83014753) has the molecular formula C8H9ClN4O3 and a molecular weight of 244.64 g/mol. Its IUPAC name is 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide.

Molecular Properties

Compound Name2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
PubChem CID83014753
Molecular FormulaC8H9ClN4O3
Molecular Weight244.64 g/mol
Exact Mass244.04
IUPAC Name2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide
SMILESCN(C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-]
InChIInChI=1S/C8H9ClN4O3/c1-12(2)11-8(14)5-3-4-10-7(9)6(5)13(15)16/h3-4H,1-2H3,(H,11,14)
InChIKeyDOLIGUQIEZIILO-UHFFFAOYSA-N
XLogP0.85
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.64
LogP ≤ 50.85
H-Bond Donors ≤ 51
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-(3,3-dimethylbutan-2-yl)-3-nitropyridine-4-carboxamide
CID 113242404
2-chloro-N-methyl-3-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 106934906
2-chloro-N-[(1-methylcyclopropyl)methyl]-3-nitropyridine-4-carboxamide
CID 113248375
2-chloro-N-(4-methylsulfanylphenyl)-3-nitropyridine-4-carboxamide
CID 64856476
2-chloro-3-nitro-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 113429004
2-chloro-3-nitropyridine-4-carboxylic acid;nitrous acid
CID 175487239
(2S)-2-[(2-chloro-3-nitropyridine-4-carbonyl)amino]-3-hydroxypropanoic acid
CID 114036572
2-chloro-3-nitro-N-pyridazin-3-ylpyridine-4-carboxamide
CID 115683157
2-chloro-N-cycloheptyl-N-methyl-3-nitropyridine-4-carboxamide
CID 64856669
2-chloro-N-[(4-hydroxyphenyl)methyl]-3-nitropyridine-4-carboxamide
CID 115735377
2-chloro-N-(5-methylhexyl)-3-nitropyridine-4-carboxamide
CID 79209646
2-chloro-N-(2-methoxyphenyl)-3-nitropyridine-4-carboxamide
CID 64856454

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide?
The IUPAC name of 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide (CID 83014753) is 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide.
What is the SMILES notation for 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide?
The canonical SMILES for 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide is CN(C)NC(=O)c1ccnc(Cl)c1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide?
The InChIKey is DOLIGUQIEZIILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O3/c1-12(2)11-8(14)5-3-4-10-7(9)6(5)13(15)16/h3-4H,1-2H3,(H,11,14).
What are the key properties of 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide?
2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide has a molecular weight of 244.64 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N',N'-dimethyl-3-nitropyridine-4-carbohydrazide is sourced from PubChem (CID 83014753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).