N-pyridin-1-ium-2-ylpyridin-2-amine

C10H10N3+ — CID 3633996

IUPACN-pyridin-1-ium-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cccc[nH+]2)nc1
InChIInChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)/p+1
InChIKeyHMMPCBAWTWYFLR-UHFFFAOYSA-O
MW172.21 g/mol
LogP1.64
Rot. Bonds2

About N-pyridin-1-ium-2-ylpyridin-2-amine

N-pyridin-1-ium-2-ylpyridin-2-amine (PubChem CID 3633996) has the molecular formula C10H10N3+ and a molecular weight of 172.21 g/mol. Its IUPAC name is N-pyridin-1-ium-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-pyridin-1-ium-2-ylpyridin-2-amine
PubChem CID3633996
Molecular FormulaC10H10N3+
Molecular Weight172.21 g/mol
Exact Mass172.09
IUPAC NameN-pyridin-1-ium-2-ylpyridin-2-amine
SMILESc1ccc(Nc2cccc[nH+]2)nc1
InChIInChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)/p+1
InChIKeyHMMPCBAWTWYFLR-UHFFFAOYSA-O
XLogP1.64
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-1-ium-2-ylpyridin-2-amine?
The IUPAC name of N-pyridin-1-ium-2-ylpyridin-2-amine (CID 3633996) is N-pyridin-1-ium-2-ylpyridin-2-amine.
What is the SMILES notation for N-pyridin-1-ium-2-ylpyridin-2-amine?
The canonical SMILES for N-pyridin-1-ium-2-ylpyridin-2-amine is c1ccc(Nc2cccc[nH+]2)nc1.
What is the InChIKey of N-pyridin-1-ium-2-ylpyridin-2-amine?
The InChIKey is HMMPCBAWTWYFLR-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9N3/c1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h1-8H,(H,11,12,13)/p+1.
What are the key properties of N-pyridin-1-ium-2-ylpyridin-2-amine?
N-pyridin-1-ium-2-ylpyridin-2-amine has a molecular weight of 172.21 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-1-ium-2-ylpyridin-2-amine is sourced from PubChem (CID 3633996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).