6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile

C9H10F2N4 — CID 114384453

IUPAC6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC(F)(F)CN)nc1
InChIInChI=1S/C9H10F2N4/c10-9(11,5-13)6-15-8-2-1-7(3-12)4-14-8/h1-2,4H,5-6,13H2,(H,14,15)
InChIKeyHOGWMLHSAWVXAJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.96
Rot. Bonds4

About 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile

6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile (PubChem CID 114384453) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
PubChem CID114384453
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCC(F)(F)CN)nc1
InChIInChI=1S/C9H10F2N4/c10-9(11,5-13)6-15-8-2-1-7(3-12)4-14-8/h1-2,4H,5-6,13H2,(H,14,15)
InChIKeyHOGWMLHSAWVXAJ-UHFFFAOYSA-N
XLogP0.96
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(5-tert-butyl-2-pyridinyl)-2,2-difluoropropane-1,3-diamine
CID 107875193
6-(2-aminoethylamino)pyridine-3-carbonitrile
CID 11369405
tert-butyl N-[1-[(5-cyano-2-pyridinyl)amino]-2-methylpropan-2-yl]carbamate
CID 71985351
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-3-carbonitrile
CID 24699115
2-[[(5-cyano-2-pyridinyl)amino]methyl]-2-ethylbutanoic acid
CID 113308560
6-[(1-amino-2-cyclopropylpropan-2-yl)amino]pyridine-3-carbonitrile
CID 115308086
2-[(5-cyano-2-pyridinyl)amino]ethanesulfonamide
CID 43552431
6-[[(2S)-2-hydroxy-3,3-dimethylbutyl]amino]pyridine-3-carbonitrile
CID 95623512
6-[2-(4-aminophenyl)ethylamino]pyridine-3-carbonitrile
CID 61220422
6-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methylamino]pyridine-3-carbonitrile
CID 56815275
6-[[4-(difluoromethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 133474689
3-[(5-cyano-2-pyridinyl)amino]-2-hydroxypropanamide
CID 107257703

Frequently Asked Questions

What is the IUPAC name of 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile (CID 114384453) is 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile is N#Cc1ccc(NCC(F)(F)CN)nc1.
What is the InChIKey of 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile?
The InChIKey is HOGWMLHSAWVXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4/c10-9(11,5-13)6-15-8-2-1-7(3-12)4-14-8/h1-2,4H,5-6,13H2,(H,14,15).
What are the key properties of 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile?
6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile has a molecular weight of 212.20 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-amino-2,2-difluoropropyl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 114384453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).