2-amino-5-[(pyridin-2-ylamino)methyl]phenol

C12H13N3O — CID 69342170

IUPAC2-amino-5-[(pyridin-2-ylamino)methyl]phenol
SMILESNc1ccc(CNc2ccccn2)cc1O
InChIInChI=1S/C12H13N3O/c13-10-5-4-9(7-11(10)16)8-15-12-3-1-2-6-14-12/h1-7,16H,8,13H2,(H,14,15)
InChIKeyCDCMPUVCVBIAQE-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds3

About 2-amino-5-[(pyridin-2-ylamino)methyl]phenol

2-amino-5-[(pyridin-2-ylamino)methyl]phenol (PubChem CID 69342170) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-amino-5-[(pyridin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-amino-5-[(pyridin-2-ylamino)methyl]phenol
PubChem CID69342170
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-amino-5-[(pyridin-2-ylamino)methyl]phenol
SMILESNc1ccc(CNc2ccccn2)cc1O
InChIInChI=1S/C12H13N3O/c13-10-5-4-9(7-11(10)16)8-15-12-3-1-2-6-14-12/h1-7,16H,8,13H2,(H,14,15)
InChIKeyCDCMPUVCVBIAQE-UHFFFAOYSA-N
XLogP1.98
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
CID 45093433
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
2-amino-5-[(1,2-oxazol-5-ylamino)methyl]phenol
CID 69342392
N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 62537645
2-amino-5-[[(5-methoxypyrimidin-2-yl)amino]methyl]phenol
CID 69341732
[5-[(pyridin-2-ylamino)methyl]furan-2-yl]methanol
CID 115692590
4-chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
2-amino-5-[[(6-methoxy-3-pyridinyl)amino]methyl]phenol
CID 69341790
N'-pyridin-2-ylmethanediamine
CID 115225472
N-[(4-methylsulfonylphenyl)methyl]pyridin-2-amine
CID 47280586
N-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyridin-2-amine
CID 86805580
4-[[(4-amino-2-pyridinyl)amino]methyl]phenol
CID 115029128

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(pyridin-2-ylamino)methyl]phenol?
The IUPAC name of 2-amino-5-[(pyridin-2-ylamino)methyl]phenol (CID 69342170) is 2-amino-5-[(pyridin-2-ylamino)methyl]phenol.
What is the SMILES notation for 2-amino-5-[(pyridin-2-ylamino)methyl]phenol?
The canonical SMILES for 2-amino-5-[(pyridin-2-ylamino)methyl]phenol is Nc1ccc(CNc2ccccn2)cc1O.
What is the InChIKey of 2-amino-5-[(pyridin-2-ylamino)methyl]phenol?
The InChIKey is CDCMPUVCVBIAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-10-5-4-9(7-11(10)16)8-15-12-3-1-2-6-14-12/h1-7,16H,8,13H2,(H,14,15).
What are the key properties of 2-amino-5-[(pyridin-2-ylamino)methyl]phenol?
2-amino-5-[(pyridin-2-ylamino)methyl]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(pyridin-2-ylamino)methyl]phenol is sourced from PubChem (CID 69342170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).