(2-methyl-5-nitro-4-pyridinyl)phosphane

C6H7N2O2P — CID 143256798

IUPAC(2-methyl-5-nitro-4-pyridinyl)phosphane
SMILESCc1cc(P)c([N+](=O)[O-])cn1
InChIInChI=1S/C6H7N2O2P/c1-4-2-6(11)5(3-7-4)8(9)10/h2-3H,11H2,1H3
InChIKeyQKZXEHAKXLAYLR-UHFFFAOYSA-N
MW170.11 g/mol
LogP0.80
Rot. Bonds1

About (2-methyl-5-nitro-4-pyridinyl)phosphane

(2-methyl-5-nitro-4-pyridinyl)phosphane (PubChem CID 143256798) has the molecular formula C6H7N2O2P and a molecular weight of 170.11 g/mol. Its IUPAC name is (2-methyl-5-nitro-4-pyridinyl)phosphane.

Molecular Properties

Compound Name(2-methyl-5-nitro-4-pyridinyl)phosphane
PubChem CID143256798
Molecular FormulaC6H7N2O2P
Molecular Weight170.11 g/mol
Exact Mass170.02
IUPAC Name(2-methyl-5-nitro-4-pyridinyl)phosphane
SMILESCc1cc(P)c([N+](=O)[O-])cn1
InChIInChI=1S/C6H7N2O2P/c1-4-2-6(11)5(3-7-4)8(9)10/h2-3H,11H2,1H3
InChIKeyQKZXEHAKXLAYLR-UHFFFAOYSA-N
XLogP0.80
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.11
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N,2-trimethyl-5-nitropyridin-4-amine
CID 70227740
4-chloro-6-methyl-3-nitro-1,7-naphthyridine
CID 167583843
2,4-dimethyl-5-(2-nitrophenyl)pyridine
CID 121389109
1-(4-methyl-5-nitro-2-pyridinyl)ethanone
CID 59855834
2-methyl-5-(6-methyl-5-nitro-3-pyridinyl)-3-nitropyridine
CID 66524275
2,5-dimethyl-3-nitropyridine
CID 12626468
N,3-dimethyl-8-nitroisoquinolin-5-amine
CID 102714194
4-methoxy-2-methyl-3-nitropyridine;4-methoxy-2-methyl-5-nitropyridine
CID 161112123
4-methyl-5-nitropyridine-2-carbaldehyde
CID 14570994
CID 158750868
CID 158750868
N-[(4-methyl-5-nitro-2-pyridinyl)methylidene]hydroxylamine
CID 137239122
4-methyl-5-nitro-2-(trifluoromethyl)pyridine
CID 53414275

Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-nitro-4-pyridinyl)phosphane?
The IUPAC name of (2-methyl-5-nitro-4-pyridinyl)phosphane (CID 143256798) is (2-methyl-5-nitro-4-pyridinyl)phosphane.
What is the SMILES notation for (2-methyl-5-nitro-4-pyridinyl)phosphane?
The canonical SMILES for (2-methyl-5-nitro-4-pyridinyl)phosphane is Cc1cc(P)c([N+](=O)[O-])cn1.
What is the InChIKey of (2-methyl-5-nitro-4-pyridinyl)phosphane?
The InChIKey is QKZXEHAKXLAYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N2O2P/c1-4-2-6(11)5(3-7-4)8(9)10/h2-3H,11H2,1H3.
What are the key properties of (2-methyl-5-nitro-4-pyridinyl)phosphane?
(2-methyl-5-nitro-4-pyridinyl)phosphane has a molecular weight of 170.11 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-nitro-4-pyridinyl)phosphane is sourced from PubChem (CID 143256798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).