6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile

C13H15F2N3 — CID 174274469

IUPAC6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC2CCC(F)(F)CC2)nc1
InChIInChI=1S/C13H15F2N3/c14-13(15)5-3-10(4-6-13)8-17-12-2-1-11(7-16)9-18-12/h1-2,9-10H,3-6,8H2,(H,17,18)
InChIKeyQONRBUDSJLNMKA-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.19
Rot. Bonds3

About 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile

6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile (PubChem CID 174274469) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
PubChem CID174274469
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC2CCC(F)(F)CC2)nc1
InChIInChI=1S/C13H15F2N3/c14-13(15)5-3-10(4-6-13)8-17-12-2-1-11(7-16)9-18-12/h1-2,9-10H,3-6,8H2,(H,17,18)
InChIKeyQONRBUDSJLNMKA-UHFFFAOYSA-N
XLogP3.19
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile (CID 174274469) is 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile is N#Cc1ccc(NCC2CCC(F)(F)CC2)nc1.
What is the InChIKey of 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is QONRBUDSJLNMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c14-13(15)5-3-10(4-6-13)8-17-12-2-1-11(7-16)9-18-12/h1-2,9-10H,3-6,8H2,(H,17,18).
What are the key properties of 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile?
6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 251.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,4-difluorocyclohexyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 174274469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).