6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile

C12H13F2N3 — CID 163319578

IUPAC6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CC(F)(F)C2)nc(C)c1C#N
InChIInChI=1S/C12H13F2N3/c1-7-3-11(16-8(2)10(7)6-15)17-9-4-12(13,14)5-9/h3,9H,4-5H2,1-2H3,(H,16,17)
InChIKeyNFHYIAWVAKYBID-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.78
Rot. Bonds2

About 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile

6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile (PubChem CID 163319578) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
PubChem CID163319578
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile
SMILESCc1cc(NC2CC(F)(F)C2)nc(C)c1C#N
InChIInChI=1S/C12H13F2N3/c1-7-3-11(16-8(2)10(7)6-15)17-9-4-12(13,14)5-9/h3,9H,4-5H2,1-2H3,(H,16,17)
InChIKeyNFHYIAWVAKYBID-UHFFFAOYSA-N
XLogP2.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The IUPAC name of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile (CID 163319578) is 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile is Cc1cc(NC2CC(F)(F)C2)nc(C)c1C#N.
What is the InChIKey of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
The InChIKey is NFHYIAWVAKYBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-7-3-11(16-8(2)10(7)6-15)17-9-4-12(13,14)5-9/h3,9H,4-5H2,1-2H3,(H,16,17).
What are the key properties of 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile?
6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile has a molecular weight of 237.25 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclobutyl)amino]-2,4-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 163319578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).