5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol

C12H11ClN2O — CID 151416184

IUPAC5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol
SMILESNCc1ccc(-c2cc(O)cnc2Cl)cc1
InChIInChI=1S/C12H11ClN2O/c13-12-11(5-10(16)7-15-12)9-3-1-8(6-14)2-4-9/h1-5,7,16H,6,14H2
InChIKeyDYSGYKHDDCJGBA-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.57
Rot. Bonds2

About 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol

5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol (PubChem CID 151416184) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol
PubChem CID151416184
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol
SMILESNCc1ccc(-c2cc(O)cnc2Cl)cc1
InChIInChI=1S/C12H11ClN2O/c13-12-11(5-10(16)7-15-12)9-3-1-8(6-14)2-4-9/h1-5,7,16H,6,14H2
InChIKeyDYSGYKHDDCJGBA-UHFFFAOYSA-N
XLogP2.57
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol (CID 151416184) is 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol is NCc1ccc(-c2cc(O)cnc2Cl)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol?
The InChIKey is DYSGYKHDDCJGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-12-11(5-10(16)7-15-12)9-3-1-8(6-14)2-4-9/h1-5,7,16H,6,14H2.
What are the key properties of 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol?
5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol has a molecular weight of 234.69 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-6-chloropyridin-3-ol is sourced from PubChem (CID 151416184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).