4-fluoro-2-(pyridin-3-ylmethoxy)aniline

C12H11FN2O — CID 16773987

IUPAC4-fluoro-2-(pyridin-3-ylmethoxy)aniline
SMILESNc1ccc(F)cc1OCc1cccnc1
InChIInChI=1S/C12H11FN2O/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2
InChIKeyBPNHKEIFLGMJCE-UHFFFAOYSA-N
MW218.23 g/mol
LogP2.38
Rot. Bonds3

About 4-fluoro-2-(pyridin-3-ylmethoxy)aniline

4-fluoro-2-(pyridin-3-ylmethoxy)aniline (PubChem CID 16773987) has the molecular formula C12H11FN2O and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-fluoro-2-(pyridin-3-ylmethoxy)aniline.

Molecular Properties

Compound Name4-fluoro-2-(pyridin-3-ylmethoxy)aniline
PubChem CID16773987
Molecular FormulaC12H11FN2O
Molecular Weight218.23 g/mol
Exact Mass218.09
IUPAC Name4-fluoro-2-(pyridin-3-ylmethoxy)aniline
SMILESNc1ccc(F)cc1OCc1cccnc1
InChIInChI=1S/C12H11FN2O/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2
InChIKeyBPNHKEIFLGMJCE-UHFFFAOYSA-N
XLogP2.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
(1R)-1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethanol
CID 55191142
4-(pyridin-3-ylmethoxy)benzene-1,3-diamine
CID 89082993
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethylidene]hydroxylamine
CID 76983455
3-[5-fluoro-2-(pyridin-3-ylmethoxy)phenyl]prop-2-yn-1-ol
CID 60800603
3-[[2-(3-chloroprop-1-ynyl)-4-fluorophenoxy]methyl]pyridine
CID 54923377
4-fluoro-2-(pyridin-3-ylmethyl)aniline
CID 105454248
8-(pyridin-3-ylmethoxy)quinolin-5-amine
CID 60863689
N-[1-[4-fluoro-2-(pyridin-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 63066755
4-[(4-fluoro-2-phenylmethoxyphenyl)methyl]pyridin-3-amine
CID 123676377
4-bromo-3-(pyridin-3-ylmethoxy)aniline
CID 103009337

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(pyridin-3-ylmethoxy)aniline?
The IUPAC name of 4-fluoro-2-(pyridin-3-ylmethoxy)aniline (CID 16773987) is 4-fluoro-2-(pyridin-3-ylmethoxy)aniline.
What is the SMILES notation for 4-fluoro-2-(pyridin-3-ylmethoxy)aniline?
The canonical SMILES for 4-fluoro-2-(pyridin-3-ylmethoxy)aniline is Nc1ccc(F)cc1OCc1cccnc1.
What is the InChIKey of 4-fluoro-2-(pyridin-3-ylmethoxy)aniline?
The InChIKey is BPNHKEIFLGMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O/c13-10-3-4-11(14)12(6-10)16-8-9-2-1-5-15-7-9/h1-7H,8,14H2.
What are the key properties of 4-fluoro-2-(pyridin-3-ylmethoxy)aniline?
4-fluoro-2-(pyridin-3-ylmethoxy)aniline has a molecular weight of 218.23 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(pyridin-3-ylmethoxy)aniline is sourced from PubChem (CID 16773987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).