4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile

C10H7FN2 — CID 170475878

IUPAC4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile
SMILESCc1cnc(F)cc1C#CCC#N
InChIInChI=1S/C10H7FN2/c1-8-7-13-10(11)6-9(8)4-2-3-5-12/h6-7H,3H2,1H3
InChIKeyUAJIDISLZRGRSD-UHFFFAOYSA-N
MW174.18 g/mol
LogP1.79
Rot. Bonds

About 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile

4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile (PubChem CID 170475878) has the molecular formula C10H7FN2 and a molecular weight of 174.18 g/mol. Its IUPAC name is 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile.

Molecular Properties

Compound Name4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile
PubChem CID170475878
Molecular FormulaC10H7FN2
Molecular Weight174.18 g/mol
Exact Mass174.06
IUPAC Name4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile
SMILESCc1cnc(F)cc1C#CCC#N
InChIInChI=1S/C10H7FN2/c1-8-7-13-10(11)6-9(8)4-2-3-5-12/h6-7H,3H2,1H3
InChIKeyUAJIDISLZRGRSD-UHFFFAOYSA-N
XLogP1.79
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-bromobut-1-ynyl)-2-fluoro-5-methylpyridine
CID 170467159
2-fluoro-5-methylpyridine-4-carbonitrile
CID 130133304
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynamide
CID 170474123
4-(5-fluoro-2-methoxy-3-pyridinyl)but-3-ynenitrile
CID 170474891
4-(5-hydroxy-2-methylphenyl)but-3-ynenitrile
CID 170474416
2-fluoro-4,5-dimethylpyridine
CID 51600276
5-(3-cyanoprop-1-ynyl)-3-fluoropyridine-2-carbonitrile
CID 170474754
3-amino-3-(6-fluoro-4-methyl-3-pyridinyl)propanenitrile
CID 55295217
4-(5-fluoro-3-pyridinyl)but-3-ynenitrile
CID 170474269
4-(2-amino-4-methylphenyl)but-3-ynenitrile
CID 170474526
4-(2-amino-3,5-difluorophenyl)but-3-ynenitrile
CID 170474860
(2-fluoro-5-methyl-4-pyridinyl)phosphane
CID 162686751

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile?
The IUPAC name of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile (CID 170475878) is 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile.
What is the SMILES notation for 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile?
The canonical SMILES for 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile is Cc1cnc(F)cc1C#CCC#N.
What is the InChIKey of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile?
The InChIKey is UAJIDISLZRGRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2/c1-8-7-13-10(11)6-9(8)4-2-3-5-12/h6-7H,3H2,1H3.
What are the key properties of 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile?
4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile has a molecular weight of 174.18 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-5-methyl-4-pyridinyl)but-3-ynenitrile is sourced from PubChem (CID 170475878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).