(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone

C10H10ClN3O3 — CID 129117138

IUPAC(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncc([N+](=O)[O-])cc1Cl)N1CCCC1
InChIInChI=1S/C10H10ClN3O3/c11-8-5-7(14(16)17)6-12-9(8)10(15)13-3-1-2-4-13/h5-6H,1-4H2
InChIKeyPUGLQHAFDJLVSV-UHFFFAOYSA-N
MW255.66 g/mol
LogP1.88
Rot. Bonds2

About (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone

(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 129117138) has the molecular formula C10H10ClN3O3 and a molecular weight of 255.66 g/mol. Its IUPAC name is (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID129117138
Molecular FormulaC10H10ClN3O3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ncc([N+](=O)[O-])cc1Cl)N1CCCC1
InChIInChI=1S/C10H10ClN3O3/c11-8-5-7(14(16)17)6-12-9(8)10(15)13-3-1-2-4-13/h5-6H,1-4H2
InChIKeyPUGLQHAFDJLVSV-UHFFFAOYSA-N
XLogP1.88
TPSA76.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 51.88
H-Bond Donors ≤ 50
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

(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 13063489
azepan-1-yl-(2,3-dichloro-5-nitrophenyl)methanone
CID 107187053
1-(2-chloro-5-nitropyridine-3-carbonyl)piperidine-3-carboxamide
CID 103817054
3-chloro-N'-hydroxy-5-nitropyridine-2-carboximidamide
CID 169161773
[4-(2-chloro-4-nitrobenzoyl)piperazin-1-yl]-cyclopentylmethanone
CID 38390813
azocan-1-yl-(2-chloro-5-nitro-4-pyridinyl)methanone
CID 103732324
(3-amino-5-chloro-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 130268254
(2-methyl-5-nitro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 47127870
methyl 2-[1-(3-chloro-5-nitro-2-pyridinyl)piperidin-2-yl]acetate
CID 103867369
azepan-1-yl-[4-(2-chloro-4-nitrophenoxy)phenyl]methanone
CID 1313575
1-(3-chloro-5-nitro-2-pyridinyl)-3-methylpiperidin-3-ol
CID 103878214
(2,3-dichloro-5-nitrophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 107188786

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone (CID 129117138) is (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1ncc([N+](=O)[O-])cc1Cl)N1CCCC1.
What is the InChIKey of (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is PUGLQHAFDJLVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O3/c11-8-5-7(14(16)17)6-12-9(8)10(15)13-3-1-2-4-13/h5-6H,1-4H2.
What are the key properties of (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone?
(3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 255.66 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-nitro-2-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 129117138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).