2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine

C13H10Cl2N2O2 — CID 7142020

IUPAC2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine
SMILESO=[N+]([O-])c1ccccc1[C@@H](Cl)[C@H](Cl)c1ccccn1
InChIInChI=1S/C13H10Cl2N2O2/c14-12(13(15)10-6-3-4-8-16-10)9-5-1-2-7-11(9)17(18)19/h1-8,12-13H/t12-,13-/m1/s1
InChIKeyMOTIIKNIYZCCNS-CHWSQXEVSA-N
MW297.14 g/mol
LogP4.25
Rot. Bonds4

About 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine

2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine (PubChem CID 7142020) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine
PubChem CID7142020
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine
SMILESO=[N+]([O-])c1ccccc1[C@@H](Cl)[C@H](Cl)c1ccccn1
InChIInChI=1S/C13H10Cl2N2O2/c14-12(13(15)10-6-3-4-8-16-10)9-5-1-2-7-11(9)17(18)19/h1-8,12-13H/t12-,13-/m1/s1
InChIKeyMOTIIKNIYZCCNS-CHWSQXEVSA-N
XLogP4.25
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43181334
(1R)-N-[(2-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648797
2-nitro-N-(1-pyridin-2-ylethylcarbamoyl)benzeneamine oxide
CID 88806673
2-nitro-N-[(1R)-1-pyridin-2-ylethyl]benzenesulfonamide
CID 41083773
(1R,2R,3S)-3-(2-nitrophenyl)-1-phenyl-2-pyridin-2-yl-3-(pyridin-2-ylamino)propan-1-ol
CID 58781446
[(1R,2S)-1-(2-nitrophenyl)-3-oxo-3-phenyl-2-pyridin-2-ylpropyl]-pyridin-2-ylazanium
CID 58781444
(2-fluoro-3-pyridinyl)-(2-nitrophenyl)methanol
CID 12711118
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
N-[(2-methyl-3-nitrophenyl)methyl]-1-pyridin-2-ylethanamine
CID 43524371
N-[3-amino-1-(2-nitrophenyl)-3-oxopropyl]pyridine-2-carboxamide
CID 143934438
1-(2-chlorophenyl)-N,N-dimethyl-N'-(3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 42909539

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine?
The IUPAC name of 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine (CID 7142020) is 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine.
What is the SMILES notation for 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine?
The canonical SMILES for 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine is O=[N+]([O-])c1ccccc1[C@@H](Cl)[C@H](Cl)c1ccccn1.
What is the InChIKey of 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine?
The InChIKey is MOTIIKNIYZCCNS-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-12(13(15)10-6-3-4-8-16-10)9-5-1-2-7-11(9)17(18)19/h1-8,12-13H/t12-,13-/m1/s1.
What are the key properties of 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine?
2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine has a molecular weight of 297.14 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-1,2-dichloro-2-(2-nitrophenyl)ethyl]pyridine is sourced from PubChem (CID 7142020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).