3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine

C14H11FN2O — CID 114733096

IUPAC3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cc1cc2cccc(F)c2o1
InChIInChI=1S/C14H11FN2O/c15-12-5-1-3-9-7-11(18-13(9)12)8-10-4-2-6-17-14(10)16/h1-7H,8H2,(H2,16,17)
InChIKeyRWTYGKQCYFGIAA-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.14
Rot. Bonds2

About 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine

3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine (PubChem CID 114733096) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine
PubChem CID114733096
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine
SMILESNc1ncccc1Cc1cc2cccc(F)c2o1
InChIInChI=1S/C14H11FN2O/c15-12-5-1-3-9-7-11(18-13(9)12)8-10-4-2-6-17-14(10)16/h1-7H,8H2,(H2,16,17)
InChIKeyRWTYGKQCYFGIAA-UHFFFAOYSA-N
XLogP3.14
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)methanethiol
CID 117182886
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
3-[2-(2,6-difluorophenyl)ethyl]pyridin-2-amine
CID 114934293
2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
CID 114732770
7-fluoro-2-prop-2-enyl-1-benzofuran
CID 114735883
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
3-(quinolin-6-ylmethyl)pyridin-2-amine
CID 81223845
3-[(2-fluorophenyl)methoxymethyl]pyridin-2-amine
CID 63935753
1-(7-fluoro-1-benzofuran-2-yl)-3-pyridin-2-ylpropan-1-amine
CID 105186531
5-(7-fluoro-1-benzofuran-2-yl)-3-methylpyridin-2-amine
CID 114731979
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
3-[(2-fluorophenoxy)methyl]pyridin-2-amine
CID 62464415

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine (CID 114733096) is 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine is Nc1ncccc1Cc1cc2cccc(F)c2o1.
What is the InChIKey of 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine?
The InChIKey is RWTYGKQCYFGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-5-1-3-9-7-11(18-13(9)12)8-10-4-2-6-17-14(10)16/h1-7H,8H2,(H2,16,17).
What are the key properties of 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine?
3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine has a molecular weight of 242.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 114733096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).