3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine

C12H9Cl3N2O — CID 102749971

IUPAC3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl3N2O/c1-18-8-4-2-7(3-5-8)16-12-10(14)6-9(13)11(15)17-12/h2-6H,1H3,(H,16,17)
InChIKeyLJINERYZSRUBDM-UHFFFAOYSA-N
MW303.58 g/mol
LogP4.79
Rot. Bonds3

About 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine

3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine (PubChem CID 102749971) has the molecular formula C12H9Cl3N2O and a molecular weight of 303.58 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
PubChem CID102749971
Molecular FormulaC12H9Cl3N2O
Molecular Weight303.58 g/mol
Exact Mass301.98
IUPAC Name3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine
SMILESCOc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1
InChIInChI=1S/C12H9Cl3N2O/c1-18-8-4-2-7(3-5-8)16-12-10(14)6-9(13)11(15)17-12/h2-6H,1H3,(H,16,17)
InChIKeyLJINERYZSRUBDM-UHFFFAOYSA-N
XLogP4.79
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5,6-trichloro-N-(4-methylsulfonylphenyl)pyridin-2-amine
CID 102750033
3-chloro-2-N-(4-methoxyphenyl)pyridine-2,5-diamine
CID 82480714
2-chloro-4-methoxy-N-(4-methoxyphenyl)aniline
CID 139794718
3,5,6-trichloro-N-(3-iodo-4-methylphenyl)pyridin-2-amine
CID 114257829
2,6-dichloro-4-N,8-N-bis(4-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,8-diamine
CID 11113034
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
3,5,6-trichloro-N-[(3,5-dimethoxyphenyl)methylideneamino]pyridin-2-amine
CID 4237377
3,5,6-trichloro-N-(2,3-dihydro-1H-inden-5-yl)pyridin-2-amine
CID 102750004
N-(3-bromophenyl)-3,5,6-trichloropyridin-2-amine
CID 102750053
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
3,5,6-trichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 102750491

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine (CID 102749971) is 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine is COc1ccc(Nc2nc(Cl)c(Cl)cc2Cl)cc1.
What is the InChIKey of 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine?
The InChIKey is LJINERYZSRUBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3N2O/c1-18-8-4-2-7(3-5-8)16-12-10(14)6-9(13)11(15)17-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine?
3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine has a molecular weight of 303.58 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(4-methoxyphenyl)pyridin-2-amine is sourced from PubChem (CID 102749971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).