2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol

C12H12N2O2 — CID 45093433

IUPAC2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
SMILESOc1cccc(O)c1CNc1ccccn1
InChIInChI=1S/C12H12N2O2/c15-10-4-3-5-11(16)9(10)8-14-12-6-1-2-7-13-12/h1-7,15-16H,8H2,(H,13,14)
InChIKeyCNCQYNXDPDSVSB-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.10
Rot. Bonds3

About 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol

2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol (PubChem CID 45093433) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
PubChem CID45093433
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
SMILESOc1cccc(O)c1CNc1ccccn1
InChIInChI=1S/C12H12N2O2/c15-10-4-3-5-11(16)9(10)8-14-12-6-1-2-7-13-12/h1-7,15-16H,8H2,(H,13,14)
InChIKeyCNCQYNXDPDSVSB-UHFFFAOYSA-N
XLogP2.10
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(pyridin-2-ylamino)methyl]phenol
CID 69342170
4-chloro-2-[(pyridin-2-ylamino)methyl]phenol
CID 890711
N'-pyridin-2-ylmethanediamine
CID 115225472
[5-[(pyridin-2-ylamino)methyl]furan-2-yl]methanol
CID 115692590
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
N-[(4-tert-butylphenyl)methyl]pyridin-2-amine
CID 2228895
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-[(2-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 115692595
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 115585005
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N-(1H-imidazol-5-ylmethyl)pyridin-2-amine
CID 65439896
N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 60962238

Frequently Asked Questions

What is the IUPAC name of 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol?
The IUPAC name of 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol (CID 45093433) is 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol?
The canonical SMILES for 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol is Oc1cccc(O)c1CNc1ccccn1.
What is the InChIKey of 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol?
The InChIKey is CNCQYNXDPDSVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-10-4-3-5-11(16)9(10)8-14-12-6-1-2-7-13-12/h1-7,15-16H,8H2,(H,13,14).
What are the key properties of 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol?
2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol has a molecular weight of 216.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol is sourced from PubChem (CID 45093433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).