1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine

C14H14ClN3O2 — CID 143408959

IUPAC1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine
SMILESO=[N+]([O-])c1ccccc1C/N=c1/ccccn1CCCl
InChIInChI=1S/C14H14ClN3O2/c15-8-10-17-9-4-3-7-14(17)16-11-12-5-1-2-6-13(12)18(19)20/h1-7,9H,8,10-11H2/b16-14-
InChIKeyOEYIUZKOJWMAKU-PEZBUJJGSA-N
MW291.74 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine

1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine (PubChem CID 143408959) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine.

Molecular Properties

Compound Name1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine
PubChem CID143408959
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine
SMILESO=[N+]([O-])c1ccccc1C/N=c1/ccccn1CCCl
InChIInChI=1S/C14H14ClN3O2/c15-8-10-17-9-4-3-7-14(17)16-11-12-5-1-2-6-13(12)18(19)20/h1-7,9H,8,10-11H2/b16-14-
InChIKeyOEYIUZKOJWMAKU-PEZBUJJGSA-N
XLogP2.74
TPSA60.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[1-[(2-nitrophenyl)methyl]-2-pyridinylidene]cyanamide
CID 19815497
2-methyl-1-[(2-nitrophenyl)methyl]pyrrole
CID 58636935
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]ethanone
CID 79106811
3-[2-(2-nitrophenyl)ethyl]-1,3-thiazol-2-one
CID 116622699
2-[3-methyl-2-[(2-nitrophenyl)methylimino]-1,3-thiazol-4-yl]ethanol
CID 143408565
(2-nitrophenyl)methanol
CID 11923
1-[1-[2-(2-nitrophenyl)ethyl]pyrrol-2-yl]butan-2-amine
CID 66403859
3-chloro-1-[2-(2-nitrophenyl)ethyl]pyrazin-2-one
CID 114561625
1-[(2-chlorophenyl)methyl]-3-nitropyridin-2-one
CID 714064
N,4-dimethyl-1-(2-nitrophenyl)pentan-3-amine
CID 54891644
5-bromo-6-chloro-3-[2-(2-nitrophenyl)ethyl]pyrimidin-4-one
CID 114583513
1-[2-(2-nitrophenyl)ethyl]imidazole
CID 63811296

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine?
The IUPAC name of 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine (CID 143408959) is 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine.
What is the SMILES notation for 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine?
The canonical SMILES for 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine is O=[N+]([O-])c1ccccc1C/N=c1/ccccn1CCCl.
What is the InChIKey of 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine?
The InChIKey is OEYIUZKOJWMAKU-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-8-10-17-9-4-3-7-14(17)16-11-12-5-1-2-6-13(12)18(19)20/h1-7,9H,8,10-11H2/b16-14-.
What are the key properties of 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine?
1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine has a molecular weight of 291.74 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-N-[(2-nitrophenyl)methyl]pyridin-2-imine is sourced from PubChem (CID 143408959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).