4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

C14H16F4N4O — CID 156837618

IUPAC4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(C(F)(F)F)ccc1C#N.O=CC1CC(CF)CN1
InChIInChI=1S/C8H6F3N3.C6H10FNO/c1-13-7-5(4-12)2-3-6(14-7)8(9,10)11;7-2-5-1-6(4-9)8-3-5/h2-3H,1H3,(H,13,14);4-6,8H,1-3H2
InChIKeyWVMMYWWOEHKSNI-UHFFFAOYSA-N
MW332.30 g/mol
LogP2.15
Rot. Bonds3

About 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile

4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 156837618) has the molecular formula C14H16F4N4O and a molecular weight of 332.30 g/mol. Its IUPAC name is 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID156837618
Molecular FormulaC14H16F4N4O
Molecular Weight332.30 g/mol
Exact Mass332.13
IUPAC Name4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCNc1nc(C(F)(F)F)ccc1C#N.O=CC1CC(CF)CN1
InChIInChI=1S/C8H6F3N3.C6H10FNO/c1-13-7-5(4-12)2-3-6(14-7)8(9,10)11;7-2-5-1-6(4-9)8-3-5/h2-3H,1H3,(H,13,14);4-6,8H,1-3H2
InChIKeyWVMMYWWOEHKSNI-UHFFFAOYSA-N
XLogP2.15
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-methylcyclopropyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 113236782
2-(1-cyclopropylbutan-2-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966966
4-fluoro-N,3-dimethyl-6-(trifluoromethyl)pyridin-2-amine;4-methylpyrrolidine-2-carbaldehyde
CID 156837589
2-[(4-methylcyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966118
2-(tert-butylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966207
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79875711
2-(2-methylpropylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78966408
2-(3-methylbut-2-enylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 103525261
2-[(4-hydroxycyclohexyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106130022
2-(cyclooctylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 78965942
2-[(1-hydroxycyclobutyl)methylamino]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 115629510
2-[[3-cyano-6-(trifluoromethyl)-2-pyridinyl]amino]-2-cyclopropylpropanoic acid
CID 79874530

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile (CID 156837618) is 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is CNc1nc(C(F)(F)F)ccc1C#N.O=CC1CC(CF)CN1.
What is the InChIKey of 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WVMMYWWOEHKSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3.C6H10FNO/c1-13-7-5(4-12)2-3-6(14-7)8(9,10)11;7-2-5-1-6(4-9)8-3-5/h2-3H,1H3,(H,13,14);4-6,8H,1-3H2.
What are the key properties of 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile?
4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 332.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)pyrrolidine-2-carbaldehyde;2-(methylamino)-6-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 156837618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).