N-(4,5-dichloro-2-pyridinyl)nitramide

C5H3Cl2N3O2 — CID 122446359

IUPACN-(4,5-dichloro-2-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cc(Cl)c(Cl)cn1
InChIInChI=1S/C5H3Cl2N3O2/c6-3-1-5(9-10(11)12)8-2-4(3)7/h1-2H,(H,8,9)
InChIKeyDLGAQEYVNNYFQF-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.99
Rot. Bonds2

About N-(4,5-dichloro-2-pyridinyl)nitramide

N-(4,5-dichloro-2-pyridinyl)nitramide (PubChem CID 122446359) has the molecular formula C5H3Cl2N3O2 and a molecular weight of 208.00 g/mol. Its IUPAC name is N-(4,5-dichloro-2-pyridinyl)nitramide.

Molecular Properties

Compound NameN-(4,5-dichloro-2-pyridinyl)nitramide
PubChem CID122446359
Molecular FormulaC5H3Cl2N3O2
Molecular Weight208.00 g/mol
Exact Mass206.96
IUPAC NameN-(4,5-dichloro-2-pyridinyl)nitramide
SMILESO=[N+]([O-])Nc1cc(Cl)c(Cl)cn1
InChIInChI=1S/C5H3Cl2N3O2/c6-3-1-5(9-10(11)12)8-2-4(3)7/h1-2H,(H,8,9)
InChIKeyDLGAQEYVNNYFQF-UHFFFAOYSA-N
XLogP1.99
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)nitramide
CID 1237179
N-(2,5-dichloro-3-pyridinyl)nitramide
CID 86161306
N-(2,3,5,6-tetrachlorophenyl)nitramide
CID 22755541
N-(4,5-dichloro-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 71869130
N-(5-chloro-2,4-difluorophenyl)nitramide
CID 57216899
5-chloro-4-methyl-2-nitropyridine
CID 77230639
2-chloro-N-(4,5-dichloro-2-pyridinyl)-5-ethylsulfonylbenzamide
CID 75468067
5-chloro-4-fluoro-3-nitropyridin-2-amine
CID 135394983
N-(2,4-dichlorophenyl)-5-nitropyridin-2-amine
CID 4764041
3,4-dichloro-N'-(4-nitrobenzoyl)benzohydrazide
CID 3339172
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N-(4,5-dichloro-2-pyridinyl)-4-ethoxybutanamide
CID 71987137

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dichloro-2-pyridinyl)nitramide?
The IUPAC name of N-(4,5-dichloro-2-pyridinyl)nitramide (CID 122446359) is N-(4,5-dichloro-2-pyridinyl)nitramide.
What is the SMILES notation for N-(4,5-dichloro-2-pyridinyl)nitramide?
The canonical SMILES for N-(4,5-dichloro-2-pyridinyl)nitramide is O=[N+]([O-])Nc1cc(Cl)c(Cl)cn1.
What is the InChIKey of N-(4,5-dichloro-2-pyridinyl)nitramide?
The InChIKey is DLGAQEYVNNYFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2N3O2/c6-3-1-5(9-10(11)12)8-2-4(3)7/h1-2H,(H,8,9).
What are the key properties of N-(4,5-dichloro-2-pyridinyl)nitramide?
N-(4,5-dichloro-2-pyridinyl)nitramide has a molecular weight of 208.00 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dichloro-2-pyridinyl)nitramide is sourced from PubChem (CID 122446359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).