(2-fluoro-4-pyridinyl)methyl hypochlorite

C6H5ClFNO — CID 89126285

IUPAC(2-fluoro-4-pyridinyl)methyl hypochlorite
SMILESFc1cc(COCl)ccn1
InChIInChI=1S/C6H5ClFNO/c7-10-4-5-1-2-9-6(8)3-5/h1-3H,4H2
InChIKeyFHZQBFQEYTUXEI-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.89
Rot. Bonds2

About (2-fluoro-4-pyridinyl)methyl hypochlorite

(2-fluoro-4-pyridinyl)methyl hypochlorite (PubChem CID 89126285) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is (2-fluoro-4-pyridinyl)methyl hypochlorite.

Molecular Properties

Compound Name(2-fluoro-4-pyridinyl)methyl hypochlorite
PubChem CID89126285
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name(2-fluoro-4-pyridinyl)methyl hypochlorite
SMILESFc1cc(COCl)ccn1
InChIInChI=1S/C6H5ClFNO/c7-10-4-5-1-2-9-6(8)3-5/h1-3H,4H2
InChIKeyFHZQBFQEYTUXEI-UHFFFAOYSA-N
XLogP1.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-fluoro-4-(methoxymethyl)pyridine
CID 169168193
4-(bromomethyl)-2-fluoropyridine;hydrochloride
CID 23070684
2-fluoro-4-(2-methylsulfanyloxyethyl)pyridine
CID 143840195
2-chloro-4-[(4-fluorophenoxy)methyl]pyridine
CID 62299799
1-(4-fluorophenyl)-2-(2-fluoro-4-pyridinyl)ethanol
CID 68911299
2-chloro-4-[(2,6-difluorophenoxy)methyl]pyridine
CID 78987592
(2S)-3-(2-fluoro-4-pyridinyl)-N,N,2-trimethylpropan-1-amine
CID 139211023
2-chloro-4-[(2,4-difluorophenoxy)methyl]pyridine
CID 62045301
2-chloro-4-(2,2,2-trifluoroethoxymethyl)pyridine
CID 62470096
2-fluoro-4-[[9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
CID 19606110
N'-ethyl-N'-[2-(2-fluoro-4-pyridinyl)ethyl]ethane-1,2-diamine
CID 52951947
ethane;N-[(2-fluoro-4-pyridinyl)methyl]hexan-1-amine
CID 163299315

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-pyridinyl)methyl hypochlorite?
The IUPAC name of (2-fluoro-4-pyridinyl)methyl hypochlorite (CID 89126285) is (2-fluoro-4-pyridinyl)methyl hypochlorite.
What is the SMILES notation for (2-fluoro-4-pyridinyl)methyl hypochlorite?
The canonical SMILES for (2-fluoro-4-pyridinyl)methyl hypochlorite is Fc1cc(COCl)ccn1.
What is the InChIKey of (2-fluoro-4-pyridinyl)methyl hypochlorite?
The InChIKey is FHZQBFQEYTUXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-10-4-5-1-2-9-6(8)3-5/h1-3H,4H2.
What are the key properties of (2-fluoro-4-pyridinyl)methyl hypochlorite?
(2-fluoro-4-pyridinyl)methyl hypochlorite has a molecular weight of 161.56 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-pyridinyl)methyl hypochlorite is sourced from PubChem (CID 89126285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).