2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol

C13H12F2N2O — CID 79892131

IUPAC2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H12F2N2O/c1-8-12(3-2-4-16-8)17-7-9-5-10(14)13(18)11(15)6-9/h2-6,17-18H,7H2,1H3
InChIKeyQBPDKWFZIZUHOK-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.99
Rot. Bonds3

About 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol

2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 79892131) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
PubChem CID79892131
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
SMILESCc1ncccc1NCc1cc(F)c(O)c(F)c1
InChIInChI=1S/C13H12F2N2O/c1-8-12(3-2-4-16-8)17-7-9-5-10(14)13(18)11(15)6-9/h2-6,17-18H,7H2,1H3
InChIKeyQBPDKWFZIZUHOK-UHFFFAOYSA-N
XLogP2.99
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxy-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042152
2-methyl-N-[(4-methylphenyl)methyl]pyridin-3-amine
CID 79041910
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521
N-[(4-chloro-2-fluorophenyl)methyl]-2-methylpyridin-3-amine
CID 114842458
4-[(2-chloroanilino)methyl]-2,6-difluorophenol
CID 79886747
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
4-[(2-bromoanilino)methyl]-2,6-difluorophenol
CID 79886224
2-methyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 79042132
2,6-difluoro-4-[(quinolin-6-ylamino)methyl]phenol
CID 79883860
2,6-difluoro-4-[[2-(trifluoromethyl)anilino]methyl]phenol
CID 79881281
2-chloro-6-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 112554995
4-[[(2-methyl-3-pyridinyl)amino]methyl]benzonitrile
CID 79041711

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol (CID 79892131) is 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol is Cc1ncccc1NCc1cc(F)c(O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is QBPDKWFZIZUHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-8-12(3-2-4-16-8)17-7-9-5-10(14)13(18)11(15)6-9/h2-6,17-18H,7H2,1H3.
What are the key properties of 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol?
2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 250.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[[(2-methyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 79892131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).