6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline

C24H23Cl3N4O2 — CID 161024546

IUPAC6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline
SMILESCOc1ccc(N)cc1.COc1ccc(Nc2cccc(Cl)n2)cc1.Clc1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2O.C7H9NO.C5H3Cl2N/c1-16-10-7-5-9(6-8-10)14-12-4-2-3-11(13)15-12;1-9-7-4-2-6(8)3-5-7;6-4-2-1-3-5(7)8-4/h2-8H,1H3,(H,14,15);2-5H,8H2,1H3;1-3H
InChIKeyTYURGCDZCJTWIX-UHFFFAOYSA-N
MW505.83 g/mol
LogP7.15
Rot. Bonds4

About 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline

6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline (PubChem CID 161024546) has the molecular formula C24H23Cl3N4O2 and a molecular weight of 505.83 g/mol. Its IUPAC name is 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline.

Molecular Properties

Compound Name6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline
PubChem CID161024546
Molecular FormulaC24H23Cl3N4O2
Molecular Weight505.83 g/mol
Exact Mass504.09
IUPAC Name6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline
SMILESCOc1ccc(N)cc1.COc1ccc(Nc2cccc(Cl)n2)cc1.Clc1cccc(Cl)n1
InChIInChI=1S/C12H11ClN2O.C7H9NO.C5H3Cl2N/c1-16-10-7-5-9(6-8-10)14-12-4-2-3-11(13)15-12;1-9-7-4-2-6(8)3-5-7;6-4-2-1-3-5(7)8-4/h2-8H,1H3,(H,14,15);2-5H,8H2,1H3;1-3H
InChIKeyTYURGCDZCJTWIX-UHFFFAOYSA-N
XLogP7.15
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.83
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-N,6-N-bis(4-aminophenyl)pyridine-2,6-diamine
CID 141294407
6-chloro-N-(4-fluorophenyl)pyridin-2-amine;2,6-dichloropyridine
CID 160664212
6-(4-methoxyanilino)pyridine-2-carboxylic acid
CID 55053217
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
3-N-(4-methoxyphenyl)benzene-1,3-diamine
CID 22486418
6-chloro-N-(3-chloro-4-methylphenyl)pyridin-2-amine
CID 63585961
N-(4-methoxyphenyl)pyridazin-3-amine
CID 121218984
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
ethane;4-methoxyaniline
CID 144603339
4-methoxyaniline;hydrobromide
CID 518270
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
CID 102749971

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline?
The IUPAC name of 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline (CID 161024546) is 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline.
What is the SMILES notation for 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline?
The canonical SMILES for 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline is COc1ccc(N)cc1.COc1ccc(Nc2cccc(Cl)n2)cc1.Clc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline?
The InChIKey is TYURGCDZCJTWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O.C7H9NO.C5H3Cl2N/c1-16-10-7-5-9(6-8-10)14-12-4-2-3-11(13)15-12;1-9-7-4-2-6(8)3-5-7;6-4-2-1-3-5(7)8-4/h2-8H,1H3,(H,14,15);2-5H,8H2,1H3;1-3H.
What are the key properties of 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline?
6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline has a molecular weight of 505.83 g/mol, XLogP of 7.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-methoxyphenyl)pyridin-2-amine;2,6-dichloropyridine;4-methoxyaniline is sourced from PubChem (CID 161024546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).