(6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid

C9H13ClNO3P — CID 125471815

IUPAC(6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid
SMILESCCc1cc(Cl)nc(P(=O)(O)O)c1CC
InChIInChI=1S/C9H13ClNO3P/c1-3-6-5-8(10)11-9(7(6)4-2)15(12,13)14/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyZTRVGSMVYDCPDO-UHFFFAOYSA-N
MW249.63 g/mol
LogP1.66
Rot. Bonds3

About (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid

(6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid (PubChem CID 125471815) has the molecular formula C9H13ClNO3P and a molecular weight of 249.63 g/mol. Its IUPAC name is (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid.

Molecular Properties

Compound Name(6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid
PubChem CID125471815
Molecular FormulaC9H13ClNO3P
Molecular Weight249.63 g/mol
Exact Mass249.03
IUPAC Name(6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid
SMILESCCc1cc(Cl)nc(P(=O)(O)O)c1CC
InChIInChI=1S/C9H13ClNO3P/c1-3-6-5-8(10)11-9(7(6)4-2)15(12,13)14/h5H,3-4H2,1-2H3,(H2,12,13,14)
InChIKeyZTRVGSMVYDCPDO-UHFFFAOYSA-N
XLogP1.66
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.63
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(bromomethyl)-2,6-dichloro-3-ethylpyridine
CID 15154284
3-amino-6-chloro-4-ethylpyridine-2-carbaldehyde
CID 146629095
2,6-dichloro-3-ethylpyridine-4-carboxylic acid
CID 87771244
5-chloro-7-ethyl-1H-imidazo[4,5-b]pyridine
CID 177331332
2-bromo-3,4-diethylthiophene;phosphoric acid
CID 175527420
[(4,6-dichloropyrimidin-2-yl)amino]phosphonic acid
CID 157158951
2-(4-chloro-2,6-diethylphenyl)acetic acid
CID 66707717
2,6-dichloro-N-(2-ethylphenyl)pyridine-4-carboxamide
CID 26208762
4,6-dichloro-2-(2-ethylphenyl)pyrimidine
CID 63612271
(3,4,5-triethyl-2-propylphenyl) dihydrogen phosphate
CID 141453067
2-chloro-4-ethyl-5-iodopyridine
CID 58200728
4,6-dichloro-2-ethylpyridine-3-carboxylic acid
CID 122407739

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid?
The IUPAC name of (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid (CID 125471815) is (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid.
What is the SMILES notation for (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid?
The canonical SMILES for (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid is CCc1cc(Cl)nc(P(=O)(O)O)c1CC.
What is the InChIKey of (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid?
The InChIKey is ZTRVGSMVYDCPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClNO3P/c1-3-6-5-8(10)11-9(7(6)4-2)15(12,13)14/h5H,3-4H2,1-2H3,(H2,12,13,14).
What are the key properties of (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid?
(6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid has a molecular weight of 249.63 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3,4-diethyl-2-pyridinyl)phosphonic acid is sourced from PubChem (CID 125471815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).