4-methyl-3H-pyridin-3-id-2-amine;niobium

C6H7N2Nb- — CID 166108990

IUPAC4-methyl-3H-pyridin-3-id-2-amine;niobium
SMILESCc1[c-]c(N)ncc1.[Nb]
InChIInChI=1S/C6H7N2.Nb/c1-5-2-3-8-6(7)4-5;/h2-3H,1H3,(H2,7,8);/q-1;
InChIKeyMDUNJCSUKJSTAC-UHFFFAOYSA-N
MW200.04 g/mol
LogP0.77
Rot. Bonds

About 4-methyl-3H-pyridin-3-id-2-amine;niobium

4-methyl-3H-pyridin-3-id-2-amine;niobium (PubChem CID 166108990) has the molecular formula C6H7N2Nb- and a molecular weight of 200.04 g/mol. Its IUPAC name is 4-methyl-3H-pyridin-3-id-2-amine;niobium.

Molecular Properties

Compound Name4-methyl-3H-pyridin-3-id-2-amine;niobium
PubChem CID166108990
Molecular FormulaC6H7N2Nb-
Molecular Weight200.04 g/mol
Exact Mass199.97
IUPAC Name4-methyl-3H-pyridin-3-id-2-amine;niobium
SMILESCc1[c-]c(N)ncc1.[Nb]
InChIInChI=1S/C6H7N2.Nb/c1-5-2-3-8-6(7)4-5;/h2-3H,1H3,(H2,7,8);/q-1;
InChIKeyMDUNJCSUKJSTAC-UHFFFAOYSA-N
XLogP0.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.04
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-pyridin-3-id-2-amine;niobium?
The IUPAC name of 4-methyl-3H-pyridin-3-id-2-amine;niobium (CID 166108990) is 4-methyl-3H-pyridin-3-id-2-amine;niobium.
What is the SMILES notation for 4-methyl-3H-pyridin-3-id-2-amine;niobium?
The canonical SMILES for 4-methyl-3H-pyridin-3-id-2-amine;niobium is Cc1[c-]c(N)ncc1.[Nb].
What is the InChIKey of 4-methyl-3H-pyridin-3-id-2-amine;niobium?
The InChIKey is MDUNJCSUKJSTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2.Nb/c1-5-2-3-8-6(7)4-5;/h2-3H,1H3,(H2,7,8);/q-1;.
What are the key properties of 4-methyl-3H-pyridin-3-id-2-amine;niobium?
4-methyl-3H-pyridin-3-id-2-amine;niobium has a molecular weight of 200.04 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-pyridin-3-id-2-amine;niobium is sourced from PubChem (CID 166108990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).