2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine

C8H10F5N3 — CID 154162173

IUPAC2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine
SMILESCC1(N)NC=C(C(F)(F)C(F)(F)F)C=C1N
InChIInChI=1S/C8H10F5N3/c1-6(15)5(14)2-4(3-16-6)7(9,10)8(11,12)13/h2-3,16H,14-15H2,1H3
InChIKeyHDMCACLFDMPOFU-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.19
Rot. Bonds1

About 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine

2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine (PubChem CID 154162173) has the molecular formula C8H10F5N3 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine.

Molecular Properties

Compound Name2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine
PubChem CID154162173
Molecular FormulaC8H10F5N3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Name2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine
SMILESCC1(N)NC=C(C(F)(F)C(F)(F)F)C=C1N
InChIInChI=1S/C8H10F5N3/c1-6(15)5(14)2-4(3-16-6)7(9,10)8(11,12)13/h2-3,16H,14-15H2,1H3
InChIKeyHDMCACLFDMPOFU-UHFFFAOYSA-N
XLogP1.19
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine?
The IUPAC name of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine (CID 154162173) is 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine.
What is the SMILES notation for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine?
The canonical SMILES for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine is CC1(N)NC=C(C(F)(F)C(F)(F)F)C=C1N.
What is the InChIKey of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine?
The InChIKey is HDMCACLFDMPOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N3/c1-6(15)5(14)2-4(3-16-6)7(9,10)8(11,12)13/h2-3,16H,14-15H2,1H3.
What are the key properties of 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine?
2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine has a molecular weight of 243.18 g/mol, XLogP of 1.19, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-1H-pyridine-2,3-diamine is sourced from PubChem (CID 154162173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).