2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline

C21H21FN4 — CID 157381211

IUPAC2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline
SMILESCc1ccnc(F)c1.Cc1cnc2ccccc2c1.Cc1cncnc1
InChIInChI=1S/C10H9N.C6H6FN.C5H6N2/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-2-3-8-6(7)4-5;1-5-2-6-4-7-3-5/h2-7H,1H3;2-4H,1H3;2-4H,1H3
InChIKeyBKXFFWTWHNOEFN-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.86
Rot. Bonds

About 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline

2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline (PubChem CID 157381211) has the molecular formula C21H21FN4 and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline.

Molecular Properties

Compound Name2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline
PubChem CID157381211
Molecular FormulaC21H21FN4
Molecular Weight348.43 g/mol
Exact Mass348.18
IUPAC Name2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline
SMILESCc1ccnc(F)c1.Cc1cnc2ccccc2c1.Cc1cncnc1
InChIInChI=1S/C10H9N.C6H6FN.C5H6N2/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-2-3-8-6(7)4-5;1-5-2-6-4-7-3-5/h2-7H,1H3;2-4H,1H3;2-4H,1H3
InChIKeyBKXFFWTWHNOEFN-UHFFFAOYSA-N
XLogP4.86
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-fluoro-4-methylpyridine;3-methylpyridine
CID 143665793
3-methylquinoline;pentane
CID 145470784
5-fluoro-2,6-dimethyl-1H-benzimidazole;3-methylquinoline
CID 143871450
benzoic acid;2-fluoro-4-methylpyridine
CID 174435105
2-ethylnaphthalene;3-methylquinoline
CID 143066870
4-methylpyridine;6-methylquinoline
CID 142243578
6-methylquinoline
CID 7059
ethane;5-fluoro-3-methylquinoline
CID 156751037
5-methyl-2-phenylpyridine;5-methyl-2-pyridin-2-ylpyridine;3-methylquinoline;toluene
CID 158347101
CID 174439431
CID 174439431
3-fluoro-8-methylbenzo[f][1,7]naphthyridine
CID 141377178
3-pyridin-4-ylquinoline
CID 10081720

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline?
The IUPAC name of 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline (CID 157381211) is 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline.
What is the SMILES notation for 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline?
The canonical SMILES for 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline is Cc1ccnc(F)c1.Cc1cnc2ccccc2c1.Cc1cncnc1.
What is the InChIKey of 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline?
The InChIKey is BKXFFWTWHNOEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C6H6FN.C5H6N2/c1-8-6-9-4-2-3-5-10(9)11-7-8;1-5-2-3-8-6(7)4-5;1-5-2-6-4-7-3-5/h2-7H,1H3;2-4H,1H3;2-4H,1H3.
What are the key properties of 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline?
2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline has a molecular weight of 348.43 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylpyridine;5-methylpyrimidine;3-methylquinoline is sourced from PubChem (CID 157381211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).