2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine

C14H10F2N2 — CID 140723616

IUPAC2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine
SMILES[C-]#[N+]c1c(F)ccc(-c2cc(C)c(C)cn2)c1F
InChIInChI=1S/C14H10F2N2/c1-8-6-12(18-7-9(8)2)10-4-5-11(15)14(17-3)13(10)16/h4-7H,1-2H3
InChIKeyMEPKOOAPCMQHRD-UHFFFAOYSA-N
MW244.24 g/mol
LogP4.19
Rot. Bonds1

About 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine

2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine (PubChem CID 140723616) has the molecular formula C14H10F2N2 and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine.

Molecular Properties

Compound Name2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine
PubChem CID140723616
Molecular FormulaC14H10F2N2
Molecular Weight244.24 g/mol
Exact Mass244.08
IUPAC Name2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine
SMILES[C-]#[N+]c1c(F)ccc(-c2cc(C)c(C)cn2)c1F
InChIInChI=1S/C14H10F2N2/c1-8-6-12(18-7-9(8)2)10-4-5-11(15)14(17-3)13(10)16/h4-7H,1-2H3
InChIKeyMEPKOOAPCMQHRD-UHFFFAOYSA-N
XLogP4.19
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)-4,5-dimethylpyridine
CID 166896824
2-(2,3-difluorophenyl)-4-methyl-5-nitropyridine
CID 170837722
[6-(2-fluorophenyl)-4-methyl-3-pyridinyl]-trimethylsilane
CID 162166935
2-[3-(4-fluorophenyl)-4-methylphenyl]-4,5-dimethylpyridine
CID 170284625
2-[6-(4,5-dimethyl-2-pyridinyl)-2-pyridinyl]-4,5-dimethylpyridine
CID 15882770
2-fluoro-4,5-dimethylpyridine
CID 51600276
2-(2,4-difluorobenzene-6-id-1-yl)-4,5-dimethylpyridine;iridium
CID 59404034
2-(3,5-dimethylphenyl)-4,5-dimethylpyridine
CID 129074691
4-tert-butyl-2-(2,4-difluoro-3-isocyanobenzene-6-id-1-yl)pyridine;iridium
CID 58900839
1-fluoro-2-isocyano-3-methyl-4-propan-2-ylbenzene
CID 140694637
4-methyl-5-pyridin-4-yl-2-(2,4,5-trifluorophenyl)pyridine
CID 168822121
2-(2,4-difluoro-3-isocyanophenyl)-6-[diphenyl-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]methyl]pyridine
CID 59646103

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine?
The IUPAC name of 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine (CID 140723616) is 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine.
What is the SMILES notation for 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine?
The canonical SMILES for 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine is [C-]#[N+]c1c(F)ccc(-c2cc(C)c(C)cn2)c1F.
What is the InChIKey of 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine?
The InChIKey is MEPKOOAPCMQHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2/c1-8-6-12(18-7-9(8)2)10-4-5-11(15)14(17-3)13(10)16/h4-7H,1-2H3.
What are the key properties of 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine?
2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine has a molecular weight of 244.24 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluoro-3-isocyanophenyl)-4,5-dimethylpyridine is sourced from PubChem (CID 140723616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).