4-[(6-chloro-3-pyridinyl)methoxy]aniline

C12H11ClN2O — CID 20537895

IUPAC4-[(6-chloro-3-pyridinyl)methoxy]aniline
SMILESNc1ccc(OCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C12H11ClN2O/c13-12-6-1-9(7-15-12)8-16-11-4-2-10(14)3-5-11/h1-7H,8,14H2
InChIKeyNLYRPELHYCCULX-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.90
Rot. Bonds3

About 4-[(6-chloro-3-pyridinyl)methoxy]aniline

4-[(6-chloro-3-pyridinyl)methoxy]aniline (PubChem CID 20537895) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-[(6-chloro-3-pyridinyl)methoxy]aniline.

Molecular Properties

Compound Name4-[(6-chloro-3-pyridinyl)methoxy]aniline
PubChem CID20537895
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-[(6-chloro-3-pyridinyl)methoxy]aniline
SMILESNc1ccc(OCc2ccc(Cl)nc2)cc1
InChIInChI=1S/C12H11ClN2O/c13-12-6-1-9(7-15-12)8-16-11-4-2-10(14)3-5-11/h1-7H,8,14H2
InChIKeyNLYRPELHYCCULX-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[(4-tert-butylphenoxy)methyl]-2-chloropyridine
CID 28537518
5-[(4-butylphenoxy)methyl]-2-chloropyridine
CID 113322669
2-chloro-5-(methoxymethyl)pyridine
CID 19010921
4-[(6-chloro-3-pyridinyl)methylsulfanyl]aniline
CID 20537892
3-[(6-chloro-3-pyridinyl)methoxy]-5-methoxybenzonitrile
CID 103566677
2-chloro-5-[(2,6-dichlorophenoxy)methyl]pyridine
CID 54920974
4-phenylmethoxyaniline
CID 159966727
4-(phenoxymethyl)aniline
CID 12712561
(6-chloro-3-pyridinyl)methyl cyanate
CID 171428640
4-[(4-aminophenoxy)methyl]phenol;ethane
CID 176977170
5-[(3-tert-butylphenoxy)methyl]-2-chloropyridine
CID 43351812
(4-methoxyphenyl) N-[4-[(6-chloro-3-pyridinyl)methoxy]phenyl]carbamate
CID 110188571

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-3-pyridinyl)methoxy]aniline?
The IUPAC name of 4-[(6-chloro-3-pyridinyl)methoxy]aniline (CID 20537895) is 4-[(6-chloro-3-pyridinyl)methoxy]aniline.
What is the SMILES notation for 4-[(6-chloro-3-pyridinyl)methoxy]aniline?
The canonical SMILES for 4-[(6-chloro-3-pyridinyl)methoxy]aniline is Nc1ccc(OCc2ccc(Cl)nc2)cc1.
What is the InChIKey of 4-[(6-chloro-3-pyridinyl)methoxy]aniline?
The InChIKey is NLYRPELHYCCULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-12-6-1-9(7-15-12)8-16-11-4-2-10(14)3-5-11/h1-7H,8,14H2.
What are the key properties of 4-[(6-chloro-3-pyridinyl)methoxy]aniline?
4-[(6-chloro-3-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-[(6-chloro-3-pyridinyl)methoxy]aniline is sourced from PubChem (CID 20537895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).