bis(pyridin-3-ylmethyl)azanium

C12H14N3+ — CID 6946562

IUPACbis(pyridin-3-ylmethyl)azanium
SMILESc1cncc(C[NH2+]Cc2cccnc2)c1
InChIInChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2/p+1
InChIKeyFEBQXMFOLRVSGC-UHFFFAOYSA-O
MW200.27 g/mol
LogP0.74
Rot. Bonds4

About bis(pyridin-3-ylmethyl)azanium

bis(pyridin-3-ylmethyl)azanium (PubChem CID 6946562) has the molecular formula C12H14N3+ and a molecular weight of 200.27 g/mol. Its IUPAC name is bis(pyridin-3-ylmethyl)azanium.

Molecular Properties

Compound Namebis(pyridin-3-ylmethyl)azanium
PubChem CID6946562
Molecular FormulaC12H14N3+
Molecular Weight200.27 g/mol
Exact Mass200.12
IUPAC Namebis(pyridin-3-ylmethyl)azanium
SMILESc1cncc(C[NH2+]Cc2cccnc2)c1
InChIInChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2/p+1
InChIKeyFEBQXMFOLRVSGC-UHFFFAOYSA-O
XLogP0.74
TPSA42.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyridin-3-ylmethyl(pyridin-4-ylmethyl)azanium
CID 6946563
2-methylpropyl(pyridin-3-ylmethyl)azanium
CID 7808850
(4-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090046
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
(2-ethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 4090047
3-ethylpyridine
CID 10823
(2,4-dimethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 5045085
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
argon;2-pyridin-3-ylethanol
CID 159015973
N-iodo-1-pyridin-3-ylmethanamine
CID 89297492
bromomethane;pyridin-3-ylmethanol
CID 158702197
(3-ethoxy-4-phenylmethoxyphenyl)methyl-(pyridin-3-ylmethyl)azanium
CID 7228103

Frequently Asked Questions

What is the IUPAC name of bis(pyridin-3-ylmethyl)azanium?
The IUPAC name of bis(pyridin-3-ylmethyl)azanium (CID 6946562) is bis(pyridin-3-ylmethyl)azanium.
What is the SMILES notation for bis(pyridin-3-ylmethyl)azanium?
The canonical SMILES for bis(pyridin-3-ylmethyl)azanium is c1cncc(C[NH2+]Cc2cccnc2)c1.
What is the InChIKey of bis(pyridin-3-ylmethyl)azanium?
The InChIKey is FEBQXMFOLRVSGC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13N3/c1-3-11(7-13-5-1)9-15-10-12-4-2-6-14-8-12/h1-8,15H,9-10H2/p+1.
What are the key properties of bis(pyridin-3-ylmethyl)azanium?
bis(pyridin-3-ylmethyl)azanium has a molecular weight of 200.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(pyridin-3-ylmethyl)azanium is sourced from PubChem (CID 6946562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).