4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol

C12H11FN2O — CID 106196676

IUPAC4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
SMILESOc1ccc(CNc2ccnc(F)c2)cc1
InChIInChI=1S/C12H11FN2O/c13-12-7-10(5-6-14-12)15-8-9-1-3-11(16)4-2-9/h1-7,16H,8H2,(H,14,15)
InChIKeyNWGFJYANTPTZFM-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.54
Rot. Bonds3

About 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol

4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol (PubChem CID 106196676) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
PubChem CID106196676
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol
SMILESOc1ccc(CNc2ccnc(F)c2)cc1
InChIInChI=1S/C12H11FN2O/c13-12-7-10(5-6-14-12)15-8-9-1-3-11(16)4-2-9/h1-7,16H,8H2,(H,14,15)
InChIKeyNWGFJYANTPTZFM-UHFFFAOYSA-N
XLogP2.54
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.54
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

N-[(4-ethylphenyl)methyl]-2-fluoropyridin-4-amine
CID 106900550
2-fluoro-N-[(4-nitrophenyl)methyl]pyridin-4-amine
CID 106192668
4-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]phenol
CID 113252113
4-[[(4-amino-2-pyridinyl)amino]methyl]phenol
CID 115029128
4-[(1,3-benzothiazol-6-ylamino)methyl]phenol
CID 103953931
4-[(naphthalen-2-ylamino)methyl]phenol
CID 13418576
4-[(3,5-ditert-butylanilino)methyl]phenol
CID 175424672
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
N-(2,2-dimethoxyethyl)-2-fluoropyridin-4-amine
CID 106197172
N-(1,3-benzodioxol-4-ylmethyl)-2-fluoropyridin-4-amine
CID 106194181
N-[2-(5-bromothiophen-2-yl)ethyl]-2-fluoropyridin-4-amine
CID 106038698
4-[[[6-(dimethylamino)-3-pyridinyl]amino]methyl]phenol
CID 43690428

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol?
The IUPAC name of 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol (CID 106196676) is 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol is Oc1ccc(CNc2ccnc(F)c2)cc1.
What is the InChIKey of 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol?
The InChIKey is NWGFJYANTPTZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-12-7-10(5-6-14-12)15-8-9-1-3-11(16)4-2-9/h1-7,16H,8H2,(H,14,15).
What are the key properties of 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol?
4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol has a molecular weight of 218.23 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-fluoro-4-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 106196676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).