(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium

C6H6ClNO2P+ — CID 175262796

IUPAC(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1cccc(Cl)n1
InChIInChI=1S/C6H5ClNO2P/c7-6-3-1-2-5(8-6)4-11(9)10/h1-3H,4H2/p+1
InChIKeyOICACWGUABKVAV-UHFFFAOYSA-O
MW190.55 g/mol
LogP1.97
Rot. Bonds2

About (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium

(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium (PubChem CID 175262796) has the molecular formula C6H6ClNO2P+ and a molecular weight of 190.55 g/mol. Its IUPAC name is (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium
PubChem CID175262796
Molecular FormulaC6H6ClNO2P+
Molecular Weight190.55 g/mol
Exact Mass189.98
IUPAC Name(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium
SMILESO=[P+](O)Cc1cccc(Cl)n1
InChIInChI=1S/C6H5ClNO2P/c7-6-3-1-2-5(8-6)4-11(9)10/h1-3H,4H2/p+1
InChIKeyOICACWGUABKVAV-UHFFFAOYSA-O
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.55
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(chloromethyl)pyridine
CID 15574440
(6-chloro-2-pyridinyl)methanesulfinate
CID 174643876
N-[(6-chloro-2-pyridinyl)methyl]ethanamine
CID 119090911
2-chloro-6-(methoxymethyl)pyridine
CID 78967102
3-[(6-chloro-2-pyridinyl)methylsulfanyl]-1,1-dimethylurea
CID 76852568
2-chloro-6-(3-fluoropropyl)pyridine
CID 173285144
2-chloro-6-pentylpyridine
CID 14570984
bis(2,6-dichloropyridine);palladium(2+);chloride
CID 71744970
2-amino-3-[(6-chloro-2-pyridinyl)methylsulfanyl]propanoic acid
CID 79240904
1-[(6-chloro-2-pyridinyl)methyl]-3-methylimidazolidin-2-one
CID 79240754
2-chloro-6-(prop-2-enoxymethyl)pyridine
CID 79243587
bis(6-chloro-2-pyridinyl)methanone
CID 102384352

Frequently Asked Questions

What is the IUPAC name of (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium?
The IUPAC name of (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium (CID 175262796) is (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium.
What is the SMILES notation for (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium?
The canonical SMILES for (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium is O=[P+](O)Cc1cccc(Cl)n1.
What is the InChIKey of (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium?
The InChIKey is OICACWGUABKVAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H5ClNO2P/c7-6-3-1-2-5(8-6)4-11(9)10/h1-3H,4H2/p+1.
What are the key properties of (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium?
(6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium has a molecular weight of 190.55 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2-pyridinyl)methyl-hydroxy-oxophosphanium is sourced from PubChem (CID 175262796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).