2-chloro-5-(pyridin-3-yloxymethyl)aniline

C12H11ClN2O — CID 117221990

IUPAC2-chloro-5-(pyridin-3-yloxymethyl)aniline
SMILESNc1cc(COc2cccnc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c13-11-4-3-9(6-12(11)14)8-16-10-2-1-5-15-7-10/h1-7H,8,14H2
InChIKeyCNCSBUHDGAERTJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-5-(pyridin-3-yloxymethyl)aniline

2-chloro-5-(pyridin-3-yloxymethyl)aniline (PubChem CID 117221990) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-5-(pyridin-3-yloxymethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(pyridin-3-yloxymethyl)aniline
PubChem CID117221990
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-5-(pyridin-3-yloxymethyl)aniline
SMILESNc1cc(COc2cccnc2)ccc1Cl
InChIInChI=1S/C12H11ClN2O/c13-11-4-3-9(6-12(11)14)8-16-10-2-1-5-15-7-10/h1-7H,8,14H2
InChIKeyCNCSBUHDGAERTJ-UHFFFAOYSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(3,4-dichlorophenoxy)methyl]aniline
CID 63460490
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
4-[(3-amino-4-chlorophenyl)methoxy]phenol
CID 117221951
2-chloro-5-[(3,5-difluorophenoxy)methyl]aniline
CID 62783723
2-chloro-5-[(3-chloro-4-fluorophenoxy)methyl]aniline
CID 63880017
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
5-[(4-bromo-3,5-dimethylphenoxy)methyl]-2-chloroaniline
CID 107722857
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine
CID 57129774
2-chloro-5-[(2-methylphenoxy)methyl]aniline
CID 43349942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(pyridin-3-yloxymethyl)aniline?
The IUPAC name of 2-chloro-5-(pyridin-3-yloxymethyl)aniline (CID 117221990) is 2-chloro-5-(pyridin-3-yloxymethyl)aniline.
What is the SMILES notation for 2-chloro-5-(pyridin-3-yloxymethyl)aniline?
The canonical SMILES for 2-chloro-5-(pyridin-3-yloxymethyl)aniline is Nc1cc(COc2cccnc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(pyridin-3-yloxymethyl)aniline?
The InChIKey is CNCSBUHDGAERTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-11-4-3-9(6-12(11)14)8-16-10-2-1-5-15-7-10/h1-7H,8,14H2.
What are the key properties of 2-chloro-5-(pyridin-3-yloxymethyl)aniline?
2-chloro-5-(pyridin-3-yloxymethyl)aniline has a molecular weight of 234.69 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(pyridin-3-yloxymethyl)aniline is sourced from PubChem (CID 117221990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).