2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine

C7H11F2N3 — CID 150655987

IUPAC2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine
SMILESNC1=CNC(N)(CC(F)F)C=C1
InChIInChI=1S/C7H11F2N3/c8-6(9)3-7(11)2-1-5(10)4-12-7/h1-2,4,6,12H,3,10-11H2
InChIKeyJCWBFKVHTCULRU-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine

2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine (PubChem CID 150655987) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine
PubChem CID150655987
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine
SMILESNC1=CNC(N)(CC(F)F)C=C1
InChIInChI=1S/C7H11F2N3/c8-6(9)3-7(11)2-1-5(10)4-12-7/h1-2,4,6,12H,3,10-11H2
InChIKeyJCWBFKVHTCULRU-UHFFFAOYSA-N
XLogP0.26
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(trifluoromethyl)-1H-pyridin-2-amine
CID 69370327
2-(trifluoromethyl)-1H-pyridin-2-amine
CID 70562359
2-methyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 139433951
2-(trifluoromethyl)-1H-pyridine-2,4-diamine
CID 149801707
2-(difluoromethyl)-1H-pyridin-2-amine
CID 150905582
2-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 150977814
2-methyl-2-N-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
CID 151380274
2-(2,2-difluoropropyl)-1H-pyridine-2,5-diamine
CID 152215268
2-ethyl-5-(trifluoromethyl)-1H-pyridine-2,3-diamine
CID 153929293
2-ethyl-2-fluoro-1H-pyridine
CID 153953950
2-(2,2,2-trifluoroethyl)-1H-pyridine-2,5-diamine
CID 154318582
2-(2,2-difluoroethyl)-1H-pyridine-2,3-diamine
CID 154333370

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine?
The IUPAC name of 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine (CID 150655987) is 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine is NC1=CNC(N)(CC(F)F)C=C1.
What is the InChIKey of 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine?
The InChIKey is JCWBFKVHTCULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-6(9)3-7(11)2-1-5(10)4-12-7/h1-2,4,6,12H,3,10-11H2.
What are the key properties of 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine?
2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine has a molecular weight of 175.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1H-pyridine-2,5-diamine is sourced from PubChem (CID 150655987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).