3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline

C12H10Cl2N2O — CID 90390971

IUPAC3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
SMILESCOc1ccc(-c2c(Cl)cc(N)cc2Cl)cn1
InChIInChI=1S/C12H10Cl2N2O/c1-17-11-3-2-7(6-16-11)12-9(13)4-8(15)5-10(12)14/h2-6H,15H2,1H3
InChIKeyNWYQBCLGJSSPLH-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.65
Rot. Bonds2

About 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline

3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline (PubChem CID 90390971) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
PubChem CID90390971
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline
SMILESCOc1ccc(-c2c(Cl)cc(N)cc2Cl)cn1
InChIInChI=1S/C12H10Cl2N2O/c1-17-11-3-2-7(6-16-11)12-9(13)4-8(15)5-10(12)14/h2-6H,15H2,1H3
InChIKeyNWYQBCLGJSSPLH-UHFFFAOYSA-N
XLogP3.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.65
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

1-[3,5-dichloro-4-(6-methoxy-3-pyridinyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 118590880
5-(4-chlorophenyl)-2-methoxypyridine;ethane
CID 143906878
5-(6-methoxy-3-pyridinyl)-4-methylpyridin-2-amine
CID 79728874
2-chloro-5-iodo-6-(6-methoxy-3-pyridinyl)pyrimidin-4-amine
CID 142788951
3-chloro-5-(6-methoxy-3-pyridinyl)benzoic acid
CID 114020568
[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]methanamine
CID 66159518
3-methoxy-6-(6-methoxy-3-pyridinyl)pyridazine
CID 24851547
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970
4-(6-methoxy-3-pyridinyl)-3,5-dimethyl-1,2-oxazole
CID 58016433
4-chloro-5-(6-methoxy-3-pyridinyl)pyrimidine
CID 105371014
N,N-dichloro-4-(6-methoxy-3-pyridinyl)aniline
CID 141410973
5-amino-2,3-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 107185089

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
The IUPAC name of 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline (CID 90390971) is 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
The canonical SMILES for 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline is COc1ccc(-c2c(Cl)cc(N)cc2Cl)cn1.
What is the InChIKey of 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
The InChIKey is NWYQBCLGJSSPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-17-11-3-2-7(6-16-11)12-9(13)4-8(15)5-10(12)14/h2-6H,15H2,1H3.
What are the key properties of 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline?
3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline has a molecular weight of 269.13 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(6-methoxy-3-pyridinyl)aniline is sourced from PubChem (CID 90390971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).