4-[(4-chloro-2-pyridinyl)methoxy]aniline

C12H11ClN2O — CID 79244468

IUPAC4-[(4-chloro-2-pyridinyl)methoxy]aniline
SMILESNc1ccc(OCc2cc(Cl)ccn2)cc1
InChIInChI=1S/C12H11ClN2O/c13-9-5-6-15-11(7-9)8-16-12-3-1-10(14)2-4-12/h1-7H,8,14H2
InChIKeyYIDSQJNDFKYQJB-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.90
Rot. Bonds3

About 4-[(4-chloro-2-pyridinyl)methoxy]aniline

4-[(4-chloro-2-pyridinyl)methoxy]aniline (PubChem CID 79244468) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)methoxy]aniline
PubChem CID79244468
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-[(4-chloro-2-pyridinyl)methoxy]aniline
SMILESNc1ccc(OCc2cc(Cl)ccn2)cc1
InChIInChI=1S/C12H11ClN2O/c13-9-5-6-15-11(7-9)8-16-12-3-1-10(14)2-4-12/h1-7H,8,14H2
InChIKeyYIDSQJNDFKYQJB-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(4-chloro-2-pyridinyl)methoxy]benzamide
CID 79255855
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
(4-chloro-2-pyridinyl)methanamine
CID 22727148
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238
2-[4-[(4-amino-2-pyridinyl)methoxy]phenyl]acetonitrile
CID 79251659
4-chloro-2-(2,2-difluoroethoxymethyl)pyridine
CID 82005069
2-[(4-bromo-2-chlorophenoxy)methyl]-4-chloropyridine
CID 79255856
4-[(4-chloro-2-pyridinyl)methoxy]-3,5-dimethylbenzonitrile
CID 79245492
(4-chloro-2-pyridinyl)methylazanide
CID 86625858
3-bromo-4-[(4-chlorophenoxy)methyl]aniline
CID 54918278
4-chloro-2-(3,3,3-trifluoropropoxymethyl)pyridine
CID 82954654

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)methoxy]aniline?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)methoxy]aniline (CID 79244468) is 4-[(4-chloro-2-pyridinyl)methoxy]aniline.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)methoxy]aniline?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)methoxy]aniline is Nc1ccc(OCc2cc(Cl)ccn2)cc1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)methoxy]aniline?
The InChIKey is YIDSQJNDFKYQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-5-6-15-11(7-9)8-16-12-3-1-10(14)2-4-12/h1-7H,8,14H2.
What are the key properties of 4-[(4-chloro-2-pyridinyl)methoxy]aniline?
4-[(4-chloro-2-pyridinyl)methoxy]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 4-[(4-chloro-2-pyridinyl)methoxy]aniline is sourced from PubChem (CID 79244468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).