4-(5-amino-3-chloro-2-pyridinyl)phenol

C11H9ClN2O — CID 136758122

IUPAC4-(5-amino-3-chloro-2-pyridinyl)phenol
SMILESNc1cnc(-c2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C11H9ClN2O/c12-10-5-8(13)6-14-11(10)7-1-3-9(15)4-2-7/h1-6,15H,13H2
InChIKeyQCWWOHHOSXOCBM-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.69
Rot. Bonds1

About 4-(5-amino-3-chloro-2-pyridinyl)phenol

4-(5-amino-3-chloro-2-pyridinyl)phenol (PubChem CID 136758122) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-(5-amino-3-chloro-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-(5-amino-3-chloro-2-pyridinyl)phenol
PubChem CID136758122
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-(5-amino-3-chloro-2-pyridinyl)phenol
SMILESNc1cnc(-c2ccc(O)cc2)c(Cl)c1
InChIInChI=1S/C11H9ClN2O/c12-10-5-8(13)6-14-11(10)7-1-3-9(15)4-2-7/h1-6,15H,13H2
InChIKeyQCWWOHHOSXOCBM-UHFFFAOYSA-N
XLogP2.69
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-3-chloro-2-pyridinyl)phenol?
The IUPAC name of 4-(5-amino-3-chloro-2-pyridinyl)phenol (CID 136758122) is 4-(5-amino-3-chloro-2-pyridinyl)phenol.
What is the SMILES notation for 4-(5-amino-3-chloro-2-pyridinyl)phenol?
The canonical SMILES for 4-(5-amino-3-chloro-2-pyridinyl)phenol is Nc1cnc(-c2ccc(O)cc2)c(Cl)c1.
What is the InChIKey of 4-(5-amino-3-chloro-2-pyridinyl)phenol?
The InChIKey is QCWWOHHOSXOCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-5-8(13)6-14-11(10)7-1-3-9(15)4-2-7/h1-6,15H,13H2.
What are the key properties of 4-(5-amino-3-chloro-2-pyridinyl)phenol?
4-(5-amino-3-chloro-2-pyridinyl)phenol has a molecular weight of 220.66 g/mol, XLogP of 2.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-3-chloro-2-pyridinyl)phenol is sourced from PubChem (CID 136758122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).