[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol

C13H13ClN2O — CID 107232377

IUPAC[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ncccc2Cl)cc1
InChIInChI=1S/C13H13ClN2O/c14-12-2-1-7-15-13(12)16-8-10-3-5-11(9-17)6-4-10/h1-7,17H,8-9H2,(H,15,16)
InChIKeyLABPZHOKNQGKKY-UHFFFAOYSA-N
MW248.71 g/mol
LogP2.84
Rot. Bonds4

About [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol

[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (PubChem CID 107232377) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
PubChem CID107232377
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name[4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ncccc2Cl)cc1
InChIInChI=1S/C13H13ClN2O/c14-12-2-1-7-15-13(12)16-8-10-3-5-11(9-17)6-4-10/h1-7,17H,8-9H2,(H,15,16)
InChIKeyLABPZHOKNQGKKY-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

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Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-3-chloropyridin-2-amine
CID 54936217
N-[(4-aminophenyl)methyl]-3-chloropyridin-2-amine
CID 60877011
[4-[[(3-fluoro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107232296
[2-[(4-methylphenyl)methylamino]-3-pyridinyl]methanol
CID 82081342
[4-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 114156926
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
3-chloro-N-(1H-imidazol-2-ylmethyl)pyridin-2-amine
CID 64531503
3-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 65030223
3-chloro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617517
N-[2-(4-aminophenyl)ethyl]-3-chloropyridin-2-amine
CID 61220420
[4-[[(5-bromo-6-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197024
3-chloro-N-[(5-methylthiophen-2-yl)methyl]pyridin-2-amine
CID 62057687

Frequently Asked Questions

What is the IUPAC name of [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol (CID 107232377) is [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is OCc1ccc(CNc2ncccc2Cl)cc1.
What is the InChIKey of [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
The InChIKey is LABPZHOKNQGKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c14-12-2-1-7-15-13(12)16-8-10-3-5-11(9-17)6-4-10/h1-7,17H,8-9H2,(H,15,16).
What are the key properties of [4-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol?
[4-[[(3-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-[[(3-chloro-2-pyridinyl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 107232377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).