3-[chloro(nitroso)methyl]-5-fluoropyridine

C6H4ClFN2O — CID 90937906

IUPAC3-[chloro(nitroso)methyl]-5-fluoropyridine
SMILESO=NC(Cl)c1cncc(F)c1
InChIInChI=1S/C6H4ClFN2O/c7-6(10-11)4-1-5(8)3-9-2-4/h1-3,6H
InChIKeyNXQMTTIYKANBGP-UHFFFAOYSA-N
MW174.56 g/mol
LogP2.22
Rot. Bonds2

About 3-[chloro(nitroso)methyl]-5-fluoropyridine

3-[chloro(nitroso)methyl]-5-fluoropyridine (PubChem CID 90937906) has the molecular formula C6H4ClFN2O and a molecular weight of 174.56 g/mol. Its IUPAC name is 3-[chloro(nitroso)methyl]-5-fluoropyridine.

Molecular Properties

Compound Name3-[chloro(nitroso)methyl]-5-fluoropyridine
PubChem CID90937906
Molecular FormulaC6H4ClFN2O
Molecular Weight174.56 g/mol
Exact Mass174.00
IUPAC Name3-[chloro(nitroso)methyl]-5-fluoropyridine
SMILESO=NC(Cl)c1cncc(F)c1
InChIInChI=1S/C6H4ClFN2O/c7-6(10-11)4-1-5(8)3-9-2-4/h1-3,6H
InChIKeyNXQMTTIYKANBGP-UHFFFAOYSA-N
XLogP2.22
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.56
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

3-(1-chloropropyl)-5-fluoropyridine
CID 130480294
3-fluoro-5-(1-isothiocyanatoethyl)pyridine
CID 139532133
3-fluoro-5-[(1S)-1-isothiocyanatoethyl]pyridine
CID 139548394
3-(5-fluoro-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81020324
N-ethyl-3-(5-fluoro-3-pyridinyl)butan-1-amine
CID 81018534
(1R)-2-chloro-1-(5-fluoro-3-pyridinyl)ethanol;2-chloro-1-(5-fluoro-3-pyridinyl)ethanone
CID 160825157
N-[bis(5-fluoro-3-pyridinyl)methyl]propan-1-amine
CID 105102198
4-chloro-1-(5-fluoro-3-pyridinyl)butan-1-ol
CID 66047072
(3,5-dichloro-2-pyridinyl)-(5-fluoro-3-pyridinyl)methanamine
CID 79780714
methyl 2-amino-2-(5-fluoro-3-pyridinyl)acetate
CID 131354218
methyl (2S)-2-(5-fluoro-3-pyridinyl)propanoate
CID 94425120
4-(5-fluoro-3-pyridinyl)pentan-1-ol
CID 177007789

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(nitroso)methyl]-5-fluoropyridine?
The IUPAC name of 3-[chloro(nitroso)methyl]-5-fluoropyridine (CID 90937906) is 3-[chloro(nitroso)methyl]-5-fluoropyridine.
What is the SMILES notation for 3-[chloro(nitroso)methyl]-5-fluoropyridine?
The canonical SMILES for 3-[chloro(nitroso)methyl]-5-fluoropyridine is O=NC(Cl)c1cncc(F)c1.
What is the InChIKey of 3-[chloro(nitroso)methyl]-5-fluoropyridine?
The InChIKey is NXQMTTIYKANBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O/c7-6(10-11)4-1-5(8)3-9-2-4/h1-3,6H.
What are the key properties of 3-[chloro(nitroso)methyl]-5-fluoropyridine?
3-[chloro(nitroso)methyl]-5-fluoropyridine has a molecular weight of 174.56 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(nitroso)methyl]-5-fluoropyridine is sourced from PubChem (CID 90937906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).