[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine

C12H13N3O — CID 62894701

IUPAC[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1cccnc1
InChIInChI=1S/C12H13N3O/c13-7-12-10(3-1-6-15-12)9-16-11-4-2-5-14-8-11/h1-6,8H,7,9,13H2
InChIKeyCVAVPCBYHSBJDQ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds4

About [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine

[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine (PubChem CID 62894701) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
PubChem CID62894701
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine
SMILESNCc1ncccc1COc1cccnc1
InChIInChI=1S/C12H13N3O/c13-7-12-10(3-1-6-15-12)9-16-11-4-2-5-14-8-11/h1-6,8H,7,9,13H2
InChIKeyCVAVPCBYHSBJDQ-UHFFFAOYSA-N
XLogP1.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-bromophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895549
[3-[(4-methylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62893839
[3-[(3,5-dichlorophenoxy)methyl]-2-pyridinyl]methanamine
CID 62895551
[2-(phenoxymethyl)-3-pyridinyl]methanamine
CID 105467789
[3-[(3-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895899
[3-[(4-methylsulfonylphenoxy)methyl]-2-pyridinyl]methanamine
CID 62895729
[3-[(3-bromo-4-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83231723
[2-[(5-bromo-3-pyridinyl)oxymethyl]-3-pyridinyl]methanamine
CID 114199251
N-methyl-1-[2-(pyridin-3-yloxymethyl)phenyl]methanamine
CID 62451935
[2-[(4-methylphenoxy)methyl]-3-pyridinyl]methanamine
CID 105485819
[3-[(2-bromo-4-methoxyphenoxy)methyl]-2-pyridinyl]methanamine
CID 104706871
[2-(pyridin-3-yloxymethyl)-1-benzothiophen-7-yl]methanamine
CID 117183170

Frequently Asked Questions

What is the IUPAC name of [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine?
The IUPAC name of [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine (CID 62894701) is [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine.
What is the SMILES notation for [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine?
The canonical SMILES for [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine is NCc1ncccc1COc1cccnc1.
What is the InChIKey of [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine?
The InChIKey is CVAVPCBYHSBJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-7-12-10(3-1-6-15-12)9-16-11-4-2-5-14-8-11/h1-6,8H,7,9,13H2.
What are the key properties of [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine?
[3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine has a molecular weight of 215.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(pyridin-3-yloxymethyl)-2-pyridinyl]methanamine is sourced from PubChem (CID 62894701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).