[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium

C7H9N2O2P — CID 6379405

IUPAC[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium
SMILESCNC(c1cccnc1)[P+](=O)[O-]
InChIInChI=1S/C7H9N2O2P/c1-8-7(12(10)11)6-3-2-4-9-5-6/h2-5,7-8H,1H3
InChIKeyVPCQQCCXLVXZHM-UHFFFAOYSA-N
MW184.14 g/mol
LogP0.40
Rot. Bonds3

About [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium

[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium (PubChem CID 6379405) has the molecular formula C7H9N2O2P and a molecular weight of 184.14 g/mol. Its IUPAC name is [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium.

Molecular Properties

Compound Name[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium
PubChem CID6379405
Molecular FormulaC7H9N2O2P
Molecular Weight184.14 g/mol
Exact Mass184.04
IUPAC Name[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium
SMILESCNC(c1cccnc1)[P+](=O)[O-]
InChIInChI=1S/C7H9N2O2P/c1-8-7(12(10)11)6-3-2-4-9-5-6/h2-5,7-8H,1H3
InChIKeyVPCQQCCXLVXZHM-UHFFFAOYSA-N
XLogP0.40
TPSA65.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
N,2-dimethyl-1-pyridin-3-ylpropan-1-amine
CID 50989033
2,2,2-trifluoro-N-methyl-1-pyridin-3-ylethanamine
CID 55273393
1-hydrazinyl-N-methyl-1-pyridin-3-ylmethanamine
CID 116961823
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
2-(methylamino)-N-[(1S)-1-pyridin-3-ylethyl]propanamide
CID 81404462
3-(methylamino)-3-pyridin-3-ylpropane-1-thiol
CID 116831467
3-(methylamino)-3-pyridin-3-ylpropan-1-ol
CID 64815324
1-N,2-N,2-N,2-tetramethyl-1-pyridin-3-ylpropane-1,2-diamine
CID 79053395
1-[methylamino(pyridin-3-yl)methyl]cyclopropan-1-amine
CID 116961279
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611

Frequently Asked Questions

What is the IUPAC name of [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium?
The IUPAC name of [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium (CID 6379405) is [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium.
What is the SMILES notation for [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium?
The canonical SMILES for [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium is CNC(c1cccnc1)[P+](=O)[O-].
What is the InChIKey of [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium?
The InChIKey is VPCQQCCXLVXZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N2O2P/c1-8-7(12(10)11)6-3-2-4-9-5-6/h2-5,7-8H,1H3.
What are the key properties of [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium?
[methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium has a molecular weight of 184.14 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methylamino(pyridin-3-yl)methyl]-oxido-oxophosphanium is sourced from PubChem (CID 6379405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).