(3-bromofuran-2-yl)-pyridin-4-ylmethanamine

C10H9BrN2O — CID 63942832

IUPAC(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
SMILESNC(c1ccncc1)c1occc1Br
InChIInChI=1S/C10H9BrN2O/c11-8-3-6-14-10(8)9(12)7-1-4-13-5-2-7/h1-6,9H,12H2
InChIKeyYWRZYTGQBAZVIT-UHFFFAOYSA-N
MW253.10 g/mol
LogP2.49
Rot. Bonds2

About (3-bromofuran-2-yl)-pyridin-4-ylmethanamine

(3-bromofuran-2-yl)-pyridin-4-ylmethanamine (PubChem CID 63942832) has the molecular formula C10H9BrN2O and a molecular weight of 253.10 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-pyridin-4-ylmethanamine.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
PubChem CID63942832
Molecular FormulaC10H9BrN2O
Molecular Weight253.10 g/mol
Exact Mass251.99
IUPAC Name(3-bromofuran-2-yl)-pyridin-4-ylmethanamine
SMILESNC(c1ccncc1)c1occc1Br
InChIInChI=1S/C10H9BrN2O/c11-8-3-6-14-10(8)9(12)7-1-4-13-5-2-7/h1-6,9H,12H2
InChIKeyYWRZYTGQBAZVIT-UHFFFAOYSA-N
XLogP2.49
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.10
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-pyridin-4-ylmethanamine?
The IUPAC name of (3-bromofuran-2-yl)-pyridin-4-ylmethanamine (CID 63942832) is (3-bromofuran-2-yl)-pyridin-4-ylmethanamine.
What is the SMILES notation for (3-bromofuran-2-yl)-pyridin-4-ylmethanamine?
The canonical SMILES for (3-bromofuran-2-yl)-pyridin-4-ylmethanamine is NC(c1ccncc1)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-pyridin-4-ylmethanamine?
The InChIKey is YWRZYTGQBAZVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2O/c11-8-3-6-14-10(8)9(12)7-1-4-13-5-2-7/h1-6,9H,12H2.
What are the key properties of (3-bromofuran-2-yl)-pyridin-4-ylmethanamine?
(3-bromofuran-2-yl)-pyridin-4-ylmethanamine has a molecular weight of 253.10 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-pyridin-4-ylmethanamine is sourced from PubChem (CID 63942832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).