4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine

C11H12ClN3O2 — CID 23274621

IUPAC4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine
SMILESO=[N+]([O-])/C=C1/CCCN1Cc1cnccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-11-3-4-13-6-9(11)7-14-5-1-2-10(14)8-15(16)17/h3-4,6,8H,1-2,5,7H2/b10-8-
InChIKeyDJXZTDIVYXWMPJ-NTMALXAHSA-N
MW253.69 g/mol
LogP2.45
Rot. Bonds3

About 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine

4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine (PubChem CID 23274621) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine
PubChem CID23274621
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine
SMILESO=[N+]([O-])/C=C1/CCCN1Cc1cnccc1Cl
InChIInChI=1S/C11H12ClN3O2/c12-11-3-4-13-6-9(11)7-14-5-1-2-10(14)8-15(16)17/h3-4,6,8H,1-2,5,7H2/b10-8-
InChIKeyDJXZTDIVYXWMPJ-NTMALXAHSA-N
XLogP2.45
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.45
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

(2Z)-2-(nitromethylidene)-1-prop-2-enylpyrrolidine
CID 6365438
1-(2-methylpropyl)-2-(nitromethylidene)pyrrolidine
CID 154264514
1-[(2-chlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844361
4-[(4-chloro-3-pyridinyl)methyl]morpholine
CID 66998174
1-[(2,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 131883651
(2E)-1-[(3,4-dichlorophenyl)methyl]-2-(nitromethylidene)imidazolidine
CID 67844427
5-chloro-2-[[2-(nitromethylidene)imidazolidin-1-yl]methyl]pyridine
CID 67765136
2-[1-[(4-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131912751
1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 43350274
(4-chloro-3-pyridinyl)methyl formate
CID 174636187
6-[(4-chloro-3-pyridinyl)methyl]-2-pyridin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913723
1-[[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133351782

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine?
The IUPAC name of 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine (CID 23274621) is 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine?
The canonical SMILES for 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine is O=[N+]([O-])/C=C1/CCCN1Cc1cnccc1Cl.
What is the InChIKey of 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine?
The InChIKey is DJXZTDIVYXWMPJ-NTMALXAHSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c12-11-3-4-13-6-9(11)7-14-5-1-2-10(14)8-15(16)17/h3-4,6,8H,1-2,5,7H2/b10-8-.
What are the key properties of 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine?
4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine has a molecular weight of 253.69 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[(2Z)-2-(nitromethylidene)pyrrolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 23274621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).