4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol

C12H10Cl2N2O — CID 132589039

IUPAC4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol
SMILESNCc1cc(-c2ccc(Cl)cc2Cl)ncc1O
InChIInChI=1S/C12H10Cl2N2O/c13-8-1-2-9(10(14)4-8)11-3-7(5-15)12(17)6-16-11/h1-4,6,17H,5,15H2
InChIKeyNEGJCFZNWCVFSH-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.22
Rot. Bonds2

About 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol

4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol (PubChem CID 132589039) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol
PubChem CID132589039
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol
SMILESNCc1cc(-c2ccc(Cl)cc2Cl)ncc1O
InChIInChI=1S/C12H10Cl2N2O/c13-8-1-2-9(10(14)4-8)11-3-7(5-15)12(17)6-16-11/h1-4,6,17H,5,15H2
InChIKeyNEGJCFZNWCVFSH-UHFFFAOYSA-N
XLogP3.22
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol?
The IUPAC name of 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol (CID 132589039) is 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol.
What is the SMILES notation for 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol?
The canonical SMILES for 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol is NCc1cc(-c2ccc(Cl)cc2Cl)ncc1O.
What is the InChIKey of 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol?
The InChIKey is NEGJCFZNWCVFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-8-1-2-9(10(14)4-8)11-3-7(5-15)12(17)6-16-11/h1-4,6,17H,5,15H2.
What are the key properties of 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol?
4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol has a molecular weight of 269.13 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-6-(2,4-dichlorophenyl)pyridin-3-ol is sourced from PubChem (CID 132589039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).