2-[amino(pyridin-2-yl)methyl]-4-chlorophenol

C12H11ClN2O — CID 22299694

IUPAC2-[amino(pyridin-2-yl)methyl]-4-chlorophenol
SMILESNC(c1ccccn1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H11ClN2O/c13-8-4-5-11(16)9(7-8)12(14)10-3-1-2-6-15-10/h1-7,12,16H,14H2
InChIKeyVFBMGKITVOQNIA-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.49
Rot. Bonds2

About 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol

2-[amino(pyridin-2-yl)methyl]-4-chlorophenol (PubChem CID 22299694) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[amino(pyridin-2-yl)methyl]-4-chlorophenol
PubChem CID22299694
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-[amino(pyridin-2-yl)methyl]-4-chlorophenol
SMILESNC(c1ccccn1)c1cc(Cl)ccc1O
InChIInChI=1S/C12H11ClN2O/c13-8-4-5-11(16)9(7-8)12(14)10-3-1-2-6-15-10/h1-7,12,16H,14H2
InChIKeyVFBMGKITVOQNIA-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
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

2-[(R)-amino(thiophen-2-yl)methyl]-4-chlorophenol;hydrochloride
CID 171217144
2-(1-aminoethyl)-4-chlorophenol;hydrochloride
CID 146014077
8-[amino(pyridin-2-yl)methyl]-6-chloro-2-oxo-1H-quinoline-3-carboxylic acid
CID 71077433
4-chloro-2-[(1R)-1,2-diaminoethyl]phenol
CID 66516717
4-chloro-2-[(2-fluorophenyl)-hydroxymethyl]phenol
CID 21400433
chloro(pyridin-2-yl)methanamine
CID 22075524
(7-chlorophenanthren-9-yl)-pyridin-2-ylmethanol
CID 146508713
(5,7-dichloro-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
CID 43149779
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-chlorophenol
CID 131224816
2-amino-2-(5-chloro-2-hydroxyphenyl)acetaldehyde
CID 91013936
4-[(4-chlorophenyl)-pyridin-2-ylmethyl]phenol
CID 71113745
2-[[2-[[(R)-(2-hydroxyphenyl)-pyridin-2-ylmethyl]amino]ethylamino]-pyridin-2-ylmethyl]phenol
CID 145259803

Frequently Asked Questions

What is the IUPAC name of 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol?
The IUPAC name of 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol (CID 22299694) is 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol.
What is the SMILES notation for 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol?
The canonical SMILES for 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol is NC(c1ccccn1)c1cc(Cl)ccc1O.
What is the InChIKey of 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol?
The InChIKey is VFBMGKITVOQNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-8-4-5-11(16)9(7-8)12(14)10-3-1-2-6-15-10/h1-7,12,16H,14H2.
What are the key properties of 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol?
2-[amino(pyridin-2-yl)methyl]-4-chlorophenol has a molecular weight of 234.69 g/mol, XLogP of 2.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(pyridin-2-yl)methyl]-4-chlorophenol is sourced from PubChem (CID 22299694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).