4-chloro-2-[(pyridin-2-ylamino)methyl]phenol

C12H11ClN2O — CID 890711

IUPAC4-chloro-2-[(pyridin-2-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1ccccn1
InChIInChI=1S/C12H11ClN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-7,16H,8H2,(H,14,15)
InChIKeyNAKIPYFXJZUDBK-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.05
Rot. Bonds3

About 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol

4-chloro-2-[(pyridin-2-ylamino)methyl]phenol (PubChem CID 890711) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[(pyridin-2-ylamino)methyl]phenol
PubChem CID890711
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-2-[(pyridin-2-ylamino)methyl]phenol
SMILESOc1ccc(Cl)cc1CNc1ccccn1
InChIInChI=1S/C12H11ClN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-7,16H,8H2,(H,14,15)
InChIKeyNAKIPYFXJZUDBK-UHFFFAOYSA-N
XLogP3.05
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.05
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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Related Compounds

4-Chloro-2-(5-phenyl-1-(pyridin-2-yl)-4,5-dihydro-1h-pyrazol-3-yl) phenol
CID 136912371
2-{[(4-Methyl-2-pyridinyl)amino]methyl}phenol
CID 572802
4-Methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
CID 649046
Alpha-(4-methyl-2-pyridylimino)-O-cresol
CID 317647
2,4-Dichloro-6-[(pyridin-2-ylamino)methyl]phenol
CID 889392
4-Methyl-2-[(4-methyl-pyridin-2-ylamino)-methyl]-phenol
CID 890374
4-Bromo-2-(pyridin-2-ylaminomethyl)-phenol
CID 951491
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
2-{1-[(5-Bromo-2-pyridinyl)amino]ethyl}-4-chlorophenol
CID 2947289
2-((E)-(2-Pyridinylimino)methyl)phenol
CID 135439975
2-{[(3-Methylpyridin-2-yl)amino]methyl}phenol
CID 4167622
2-(((5-Bromopyridin-2-yl)amino)methyl)-4-chlorophenol
CID 888841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol?
The IUPAC name of 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol (CID 890711) is 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol.
What is the SMILES notation for 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol?
The canonical SMILES for 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol is Oc1ccc(Cl)cc1CNc1ccccn1.
What is the InChIKey of 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol?
The InChIKey is NAKIPYFXJZUDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-10-4-5-11(16)9(7-10)8-15-12-3-1-2-6-14-12/h1-7,16H,8H2,(H,14,15).
What are the key properties of 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol?
4-chloro-2-[(pyridin-2-ylamino)methyl]phenol has a molecular weight of 234.69 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(pyridin-2-ylamino)methyl]phenol is sourced from PubChem (CID 890711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).