3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine

C12H10Cl3N3O — CID 102751039

IUPAC3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
SMILESCOc1cc(CNc2nc(Cl)c(Cl)cc2Cl)ccn1
InChIInChI=1S/C12H10Cl3N3O/c1-19-10-4-7(2-3-16-10)6-17-12-9(14)5-8(13)11(15)18-12/h2-5H,6H2,1H3,(H,17,18)
InChIKeyOLCQRLLARBWLIM-UHFFFAOYSA-N
MW318.59 g/mol
LogP4.06
Rot. Bonds4

About 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine

3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine (PubChem CID 102751039) has the molecular formula C12H10Cl3N3O and a molecular weight of 318.59 g/mol. Its IUPAC name is 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
PubChem CID102751039
Molecular FormulaC12H10Cl3N3O
Molecular Weight318.59 g/mol
Exact Mass316.99
IUPAC Name3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine
SMILESCOc1cc(CNc2nc(Cl)c(Cl)cc2Cl)ccn1
InChIInChI=1S/C12H10Cl3N3O/c1-19-10-4-7(2-3-16-10)6-17-12-9(14)5-8(13)11(15)18-12/h2-5H,6H2,1H3,(H,17,18)
InChIKeyOLCQRLLARBWLIM-UHFFFAOYSA-N
XLogP4.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.59
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidin-4-amine
CID 79556339
4-N-[(2-methoxy-4-pyridinyl)methyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80831708
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
3,5,6-trichloro-N-[(3,4-difluorophenyl)methyl]pyridin-2-amine
CID 102750719
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
5-bromo-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylpyridin-2-amine
CID 79718796
5-iodo-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidin-4-amine
CID 66343046
[4-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114156926
1-(3-chloro-4-fluorophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]methanamine
CID 81145864
2-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]-5-methylpyrimidine-4,6-diamine
CID 80983795
3-chloro-4-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 63088979
5-ethyl-4-N-[(2-methoxy-4-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831799

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine (CID 102751039) is 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine is COc1cc(CNc2nc(Cl)c(Cl)cc2Cl)ccn1.
What is the InChIKey of 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is OLCQRLLARBWLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3N3O/c1-19-10-4-7(2-3-16-10)6-17-12-9(14)5-8(13)11(15)18-12/h2-5H,6H2,1H3,(H,17,18).
What are the key properties of 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine?
3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 318.59 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-[(2-methoxy-4-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 102751039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).