3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile

C10H7F2N3O — CID 134685939

IUPAC3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(CC#N)cc1C(F)F
InChIInChI=1S/C10H7F2N3O/c1-16-10-7(9(11)12)4-6(2-3-13)8(5-14)15-10/h4,9H,2H2,1H3
InChIKeyCDKAVGQDQCFBQJ-UHFFFAOYSA-N
MW223.18 g/mol
LogP1.97
Rot. Bonds3

About 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile

3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile (PubChem CID 134685939) has the molecular formula C10H7F2N3O and a molecular weight of 223.18 g/mol. Its IUPAC name is 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
PubChem CID134685939
Molecular FormulaC10H7F2N3O
Molecular Weight223.18 g/mol
Exact Mass223.06
IUPAC Name3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
SMILESCOc1nc(C#N)c(CC#N)cc1C(F)F
InChIInChI=1S/C10H7F2N3O/c1-16-10-7(9(11)12)4-6(2-3-13)8(5-14)15-10/h4,9H,2H2,1H3
InChIKeyCDKAVGQDQCFBQJ-UHFFFAOYSA-N
XLogP1.97
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-5-(difluoromethyl)-6-methoxy-3-pyridinyl]acetonitrile
CID 119012065
3-(cyanomethyl)-5-(difluoromethyl)-6-iodopyridine-2-carbonitrile
CID 130077467
3-(cyanomethyl)-5-(difluoromethyl)-6-fluoropyridine-2-carbonitrile
CID 134675594
3-bromo-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile
CID 130108665
5-(cyanomethyl)-6-(difluoromethyl)-3-methoxypyridine-2-carbonitrile
CID 134664614
3-(difluoromethyl)-5-hydroxy-6-methoxypyridine-2-carbonitrile
CID 119008793
2-[5-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130097445
2-[6-chloro-4-(difluoromethyl)-2-methoxy-3-pyridinyl]acetonitrile
CID 130073856
2-[6-(difluoromethyl)-2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133099058
2-[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]acetonitrile
CID 134686354
methyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134675477
2-[2-(difluoromethyl)-6-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetonitrile
CID 133098420

Frequently Asked Questions

What is the IUPAC name of 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
The IUPAC name of 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile (CID 134685939) is 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile.
What is the SMILES notation for 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
The canonical SMILES for 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile is COc1nc(C#N)c(CC#N)cc1C(F)F.
What is the InChIKey of 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
The InChIKey is CDKAVGQDQCFBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O/c1-16-10-7(9(11)12)4-6(2-3-13)8(5-14)15-10/h4,9H,2H2,1H3.
What are the key properties of 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile?
3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile has a molecular weight of 223.18 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyanomethyl)-5-(difluoromethyl)-6-methoxypyridine-2-carbonitrile is sourced from PubChem (CID 134685939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).