[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol

C13H13ClN2O — CID 106197039

IUPAC[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cccc(Cl)n2)cc1
InChIInChI=1S/C13H13ClN2O/c14-12-2-1-3-13(16-12)15-8-10-4-6-11(9-17)7-5-10/h1-7,17H,8-9H2,(H,15,16)
InChIKeyFLIWXPQPQOZZMX-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.84
Rot. Bonds4

About [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol

[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 106197039) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID106197039
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2cccc(Cl)n2)cc1
InChIInChI=1S/C13H13ClN2O/c14-12-2-1-3-13(16-12)15-8-10-4-6-11(9-17)7-5-10/h1-7,17H,8-9H2,(H,15,16)
InChIKeyFLIWXPQPQOZZMX-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(pyridin-4-ylmethyl)pyridin-2-amine
CID 53410285
6-chloro-N-(2H-tetrazol-5-ylmethyl)pyridin-2-amine
CID 106194524
6-chloro-N-[(3-methoxyphenyl)methyl]pyridin-2-amine
CID 63587268
6-chloro-N-[2-(4-chlorophenyl)ethyl]pyridin-2-amine
CID 55214934
6-chloro-N-[(1-ethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 102808181
N'-(6-chloro-2-pyridinyl)butane-1,4-diamine
CID 117097392
[4-[(quinoxalin-2-ylamino)methyl]phenyl]methanol
CID 107232330
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
[4-[(6-chloro-2-pyridinyl)oxy]phenyl]methanol
CID 63586509
6-chloro-N-[(2-methyltriazol-4-yl)methyl]pyridin-2-amine
CID 130747973
N-(6-chloro-2-pyridinyl)-3,3-dimethylbutanamide
CID 115669489
[4-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114156926

Frequently Asked Questions

What is the IUPAC name of [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 106197039) is [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is OCc1ccc(CNc2cccc(Cl)n2)cc1.
What is the InChIKey of [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is FLIWXPQPQOZZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-2-1-3-13(16-12)15-8-10-4-6-11(9-17)7-5-10/h1-7,17H,8-9H2,(H,15,16).
What are the key properties of [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol has a molecular weight of 248.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 106197039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).