2-[(pyridin-3-ylamino)methyl]phenol

C12H12N2O — CID 853646

IUPAC2-[(pyridin-3-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1cccnc1
InChIInChI=1S/C12H12N2O/c15-12-6-2-1-4-10(12)8-14-11-5-3-7-13-9-11/h1-7,9,14-15H,8H2
InChIKeyRNLPSIGSCNHXKF-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.40
Rot. Bonds3

About 2-[(pyridin-3-ylamino)methyl]phenol

2-[(pyridin-3-ylamino)methyl]phenol (PubChem CID 853646) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[(pyridin-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(pyridin-3-ylamino)methyl]phenol
PubChem CID853646
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name2-[(pyridin-3-ylamino)methyl]phenol
SMILESOc1ccccc1CNc1cccnc1
InChIInChI=1S/C12H12N2O/c15-12-6-2-1-4-10(12)8-14-11-5-3-7-13-9-11/h1-7,9,14-15H,8H2
InChIKeyRNLPSIGSCNHXKF-UHFFFAOYSA-N
XLogP2.40
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(pyridin-3-ylamino)methyl]phenol?
The IUPAC name of 2-[(pyridin-3-ylamino)methyl]phenol (CID 853646) is 2-[(pyridin-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-[(pyridin-3-ylamino)methyl]phenol?
The canonical SMILES for 2-[(pyridin-3-ylamino)methyl]phenol is Oc1ccccc1CNc1cccnc1.
What is the InChIKey of 2-[(pyridin-3-ylamino)methyl]phenol?
The InChIKey is RNLPSIGSCNHXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-6-2-1-4-10(12)8-14-11-5-3-7-13-9-11/h1-7,9,14-15H,8H2.
What are the key properties of 2-[(pyridin-3-ylamino)methyl]phenol?
2-[(pyridin-3-ylamino)methyl]phenol has a molecular weight of 200.24 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-3-ylamino)methyl]phenol is sourced from PubChem (CID 853646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).