4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline

C12H10Cl2N2O — CID 107498882

IUPAC4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1OCc1cccnc1
InChIInChI=1S/C12H10Cl2N2O/c13-9-4-11(15)12(5-10(9)14)17-7-8-2-1-3-16-6-8/h1-6H,7,15H2
InChIKeyCRSZUWAPADSRGX-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.55
Rot. Bonds3

About 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline

4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline (PubChem CID 107498882) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline.

Molecular Properties

Compound Name4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
PubChem CID107498882
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
SMILESNc1cc(Cl)c(Cl)cc1OCc1cccnc1
InChIInChI=1S/C12H10Cl2N2O/c13-9-4-11(15)12(5-10(9)14)17-7-8-2-1-3-16-6-8/h1-6H,7,15H2
InChIKeyCRSZUWAPADSRGX-UHFFFAOYSA-N
XLogP3.55
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.55
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

4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
4-fluoro-2-(pyridin-3-ylmethoxy)aniline
CID 16773987
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-[(2-chloro-4-methylphenoxy)methyl]pyridine
CID 121427496
(1S)-1-[3-chloro-4-(pyridin-3-ylmethoxy)phenyl]ethanamine
CID 113389810
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
4-[4-(pyridin-3-ylmethoxy)phenoxy]benzene-1,3-diamine
CID 89083027
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
[4-chloro-2-methyl-5-(pyridin-3-ylmethoxy)phenyl]boronic acid
CID 56776616
4-chloro-2-(2-pyridin-3-ylethoxy)aniline
CID 63264708

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline?
The IUPAC name of 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline (CID 107498882) is 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline.
What is the SMILES notation for 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline?
The canonical SMILES for 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline is Nc1cc(Cl)c(Cl)cc1OCc1cccnc1.
What is the InChIKey of 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline?
The InChIKey is CRSZUWAPADSRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-9-4-11(15)12(5-10(9)14)17-7-8-2-1-3-16-6-8/h1-6H,7,15H2.
What are the key properties of 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline?
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline has a molecular weight of 269.13 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline is sourced from PubChem (CID 107498882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).