N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine

C13H12ClN3O2 — CID 63746291

IUPACN-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCc1ccccn1
InChIInChI=1S/C13H12ClN3O2/c14-12-5-3-6-13(17(18)19)11(12)9-15-8-10-4-1-2-7-16-10/h1-7,15H,8-9H2
InChIKeyWUVHNLRKDSREEI-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.93
Rot. Bonds5

About N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine

N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine (PubChem CID 63746291) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
PubChem CID63746291
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine
SMILESO=[N+]([O-])c1cccc(Cl)c1CNCc1ccccn1
InChIInChI=1S/C13H12ClN3O2/c14-12-5-3-6-13(17(18)19)11(12)9-15-8-10-4-1-2-7-16-10/h1-7,15H,8-9H2
InChIKeyWUVHNLRKDSREEI-UHFFFAOYSA-N
XLogP2.93
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.93
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

N-[(2-chloro-6-nitrophenyl)methyl]ethanamine
CID 63745777
2-(2-nitrophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 63063473
N-[(2-chloro-6-nitrophenyl)methyl]-1-(4-methylphenyl)methanamine
CID 63746803
(2-chloro-6-nitrophenyl)methylhydrazine
CID 63746619
N-[(2-chloro-6-nitrophenyl)methyl]-2,2-dimethylpropan-1-amine
CID 63747503
N-[(2-chloro-6-nitrophenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 63746130
[1-[[(2-chloro-6-nitrophenyl)methylamino]methyl]cyclopropyl]methanol
CID 113313226
N-[(2-chloro-6-nitrophenyl)methyl]-2-phenylpropan-1-amine
CID 104591411
N-[(2,6-dichlorophenyl)methyl]-1-(2-methyl-3-nitrophenyl)methanamine
CID 103114558
N-[(2-chloro-6-nitrophenyl)methyl]-1-cyclobutylmethanamine
CID 63746985
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79357939
N-[(2-chloro-6-nitrophenyl)methyl]-1-(2,5-difluorophenyl)methanamine
CID 63794809

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine?
The IUPAC name of N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine (CID 63746291) is N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine.
What is the SMILES notation for N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine?
The canonical SMILES for N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine is O=[N+]([O-])c1cccc(Cl)c1CNCc1ccccn1.
What is the InChIKey of N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine?
The InChIKey is WUVHNLRKDSREEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c14-12-5-3-6-13(17(18)19)11(12)9-15-8-10-4-1-2-7-16-10/h1-7,15H,8-9H2.
What are the key properties of N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine?
N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine has a molecular weight of 277.71 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-nitrophenyl)methyl]-1-pyridin-2-ylmethanamine is sourced from PubChem (CID 63746291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).