2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile

C13H10ClF2N3O2 — CID 162135298

IUPAC2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)ncc1F.COc1cc(Cl)ncc1F
InChIInChI=1S/C7H5FN2O.C6H5ClFNO/c1-11-7-2-5(3-9)10-4-6(7)8;1-10-5-2-6(7)9-3-4(5)8/h2,4H,1H3;2-3H,1H3
InChIKeyZJESKRCDUAOBKL-UHFFFAOYSA-N
MW313.69 g/mol
LogP2.98
Rot. Bonds2

About 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile

2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile (PubChem CID 162135298) has the molecular formula C13H10ClF2N3O2 and a molecular weight of 313.69 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile
PubChem CID162135298
Molecular FormulaC13H10ClF2N3O2
Molecular Weight313.69 g/mol
Exact Mass313.04
IUPAC Name2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile
SMILESCOc1cc(C#N)ncc1F.COc1cc(Cl)ncc1F
InChIInChI=1S/C7H5FN2O.C6H5ClFNO/c1-11-7-2-5(3-9)10-4-6(7)8;1-10-5-2-6(7)9-3-4(5)8/h2,4H,1H3;2-3H,1H3
InChIKeyZJESKRCDUAOBKL-UHFFFAOYSA-N
XLogP2.98
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.69
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-ethoxy-5-fluoropyridine
CID 82653688
5-fluoro-4-methylpyridine-2-carbonitrile
CID 118235335
4-[(2-chloro-5-methyl-4-pyridinyl)oxy]-2-fluorobenzonitrile
CID 83269918
CID 156637703
CID 156637703
6-chloro-5-methoxypyridine-3-carbonitrile
CID 53395594
6-cyano-4-(2-fluoro-6-methoxyphenyl)pyridine-3-carboxylic acid
CID 155342208
2-cyano-5-methoxypyridine-4-carboxamide
CID 13238726
7-fluoro-6-methoxyquinoline-2-carbonitrile
CID 102941351
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyridine-4-carbonitrile
CID 166799798
4-chloro-5-methylpyridine-2-carbonitrile
CID 75422082
2-chloro-5-fluoro-N-methylpyridin-4-amine
CID 118992251
1-chloro-6,7-dimethoxyisoquinoline-4-carbonitrile
CID 87574214

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile?
The IUPAC name of 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile (CID 162135298) is 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile?
The canonical SMILES for 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile is COc1cc(C#N)ncc1F.COc1cc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile?
The InChIKey is ZJESKRCDUAOBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O.C6H5ClFNO/c1-11-7-2-5(3-9)10-4-6(7)8;1-10-5-2-6(7)9-3-4(5)8/h2,4H,1H3;2-3H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile?
2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile has a molecular weight of 313.69 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-methoxypyridine;5-fluoro-4-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 162135298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).