N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide

C9H8ClN3O3 — CID 55773408

IUPACN-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CC1[N+](=O)[O-]
InChIInChI=1S/C9H8ClN3O3/c10-5-1-2-8(11-4-5)12-9(14)6-3-7(6)13(15)16/h1-2,4,6-7H,3H2,(H,11,12,14)
InChIKeyJUKCELOTHQBTCI-UHFFFAOYSA-N
MW241.63 g/mol
LogP1.34
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide

N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide (PubChem CID 55773408) has the molecular formula C9H8ClN3O3 and a molecular weight of 241.63 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
PubChem CID55773408
Molecular FormulaC9H8ClN3O3
Molecular Weight241.63 g/mol
Exact Mass241.03
IUPAC NameN-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CC1[N+](=O)[O-]
InChIInChI=1S/C9H8ClN3O3/c10-5-1-2-8(11-4-5)12-9(14)6-3-7(6)13(15)16/h1-2,4,6-7H,3H2,(H,11,12,14)
InChIKeyJUKCELOTHQBTCI-UHFFFAOYSA-N
XLogP1.34
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.63
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cis-(1S,2R)-N-(2-acetamido-5-chlorophenyl)-2-nitrocyclopropane-1-carboxamide
CID 95340875
ethyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorocyclopentane-1-carboxylate
CID 68893767
2-[(5-chloro-2-pyridinyl)amino]-2-oxoacetyl chloride
CID 152602540
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
(2S)-N-(5-chloro-2-pyridinyl)pyrrolidine-2-carboxamide
CID 24749623
cis-(1S,2R)-N-(5-iodo-3-methyl-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide
CID 95990662
(3S)-N-(5-chloro-2-pyridinyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 28893634
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43044046
N-(5-chloro-2-pyridinyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892365
methyl 2,4-difluoro-5-[(2-nitrocyclopropanecarbonyl)amino]benzoate
CID 71940867

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide (CID 55773408) is N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CC1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
The InChIKey is JUKCELOTHQBTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O3/c10-5-1-2-8(11-4-5)12-9(14)6-3-7(6)13(15)16/h1-2,4,6-7H,3H2,(H,11,12,14).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide?
N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide has a molecular weight of 241.63 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-nitrocyclopropane-1-carboxamide is sourced from PubChem (CID 55773408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).