3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol

C12H11ClN2O — CID 105495497

IUPAC3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol
SMILESNCc1cc(Cl)nc(-c2cccc(O)c2)c1
InChIInChI=1S/C12H11ClN2O/c13-12-5-8(7-14)4-11(15-12)9-2-1-3-10(16)6-9/h1-6,16H,7,14H2
InChIKeyWYDSTCFYSQVURA-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.57
Rot. Bonds2

About 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol

3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol (PubChem CID 105495497) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol
PubChem CID105495497
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol
SMILESNCc1cc(Cl)nc(-c2cccc(O)c2)c1
InChIInChI=1S/C12H11ClN2O/c13-12-5-8(7-14)4-11(15-12)9-2-1-3-10(16)6-9/h1-6,16H,7,14H2
InChIKeyWYDSTCFYSQVURA-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 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol?
The IUPAC name of 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol (CID 105495497) is 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol.
What is the SMILES notation for 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol?
The canonical SMILES for 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol is NCc1cc(Cl)nc(-c2cccc(O)c2)c1.
What is the InChIKey of 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol?
The InChIKey is WYDSTCFYSQVURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-12-5-8(7-14)4-11(15-12)9-2-1-3-10(16)6-9/h1-6,16H,7,14H2.
What are the key properties of 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol?
3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol 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 3-[4-(aminomethyl)-6-chloro-2-pyridinyl]phenol is sourced from PubChem (CID 105495497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).