1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine

C13H11Cl3FN — CID 160532527

IUPAC1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine
SMILESCc1c(Cl)ccnc1Cl.Cc1c(F)cccc1Cl
InChIInChI=1S/C7H6ClF.C6H5Cl2N/c1-5-6(8)3-2-4-7(5)9;1-4-5(7)2-3-9-6(4)8/h2-4H,1H3;2-3H,1H3
InChIKeyQVSSDTSBMOUEED-UHFFFAOYSA-N
MW306.60 g/mol
LogP5.48
Rot. Bonds

About 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine

1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine (PubChem CID 160532527) has the molecular formula C13H11Cl3FN and a molecular weight of 306.60 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine
PubChem CID160532527
Molecular FormulaC13H11Cl3FN
Molecular Weight306.60 g/mol
Exact Mass304.99
IUPAC Name1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine
SMILESCc1c(Cl)ccnc1Cl.Cc1c(F)cccc1Cl
InChIInChI=1S/C7H6ClF.C6H5Cl2N/c1-5-6(8)3-2-4-7(5)9;1-4-5(7)2-3-9-6(4)8/h2-4H,1H3;2-3H,1H3
InChIKeyQVSSDTSBMOUEED-UHFFFAOYSA-N
XLogP5.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dichloro-2-methylbenzene;bis(2,3-dimethylpyridine);1-fluoro-2-methylbenzene
CID 158361621
3-(2,6-dichlorophenyl)-2,4-difluoropyridine
CID 133090559
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methylpyrimidine
CID 115502906
1,3-difluoro-2-methylbenzene;2-methylpropane
CID 159186577
2-chloro-4-(2,3-difluorophenyl)-3-fluoropyridine
CID 119022782
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
2,3-dichloro-4-methylpyridine;2,3-dichloropyridine
CID 158187016
azane;2,3-dichloropyridine
CID 174689212
2-(2-chloro-6-fluorophenyl)-1-methylimidazole
CID 82077992
4-chloro-3-fluoro-2-methylpyridine
CID 18727750
4-chloro-2-iodo-3-methylpyridine
CID 118845264
2-chloro-4-ethynyl-3-methylpyridine
CID 74888443

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine?
The IUPAC name of 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine (CID 160532527) is 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine.
What is the SMILES notation for 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine?
The canonical SMILES for 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine is Cc1c(Cl)ccnc1Cl.Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine?
The InChIKey is QVSSDTSBMOUEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF.C6H5Cl2N/c1-5-6(8)3-2-4-7(5)9;1-4-5(7)2-3-9-6(4)8/h2-4H,1H3;2-3H,1H3.
What are the key properties of 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine?
1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine has a molecular weight of 306.60 g/mol, XLogP of 5.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-methylbenzene;2,4-dichloro-3-methylpyridine is sourced from PubChem (CID 160532527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).