4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid

C9H10F2N2O2 — CID 164651998

IUPAC4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
SMILESCC(F)(F)CNc1ccncc1C(=O)O
InChIInChI=1S/C9H10F2N2O2/c1-9(10,11)5-13-7-2-3-12-4-6(7)8(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyCDVSEWNVPXUUCO-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.85
Rot. Bonds4

About 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid

4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid (PubChem CID 164651998) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
PubChem CID164651998
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid
SMILESCC(F)(F)CNc1ccncc1C(=O)O
InChIInChI=1S/C9H10F2N2O2/c1-9(10,11)5-13-7-2-3-12-4-6(7)8(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15)
InChIKeyCDVSEWNVPXUUCO-UHFFFAOYSA-N
XLogP1.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-(2-methylprop-2-enylamino)pyridine-3-carboxylic acid
CID 114617444
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-3-carboxylic acid
CID 81243605
4-(2-methylsulfonylethylamino)pyridine-3-carboxylic acid
CID 81233404
4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]pyridine-3-carboxylic acid
CID 114518113
4-(4-tert-butylanilino)pyridine-3-carboxylic acid
CID 81232443
4-(4-hydroxypentylamino)pyridine-3-carboxylic acid
CID 106136496
4-[(2-ethyl-4-hydroxybutyl)amino]pyridine-3-carboxylic acid
CID 81244416
4-(3-methylsulfonylpropylamino)pyridine-3-carboxylic acid
CID 81244164
4-[2-(2-methoxyethoxy)ethylamino]pyridine-3-carboxylic acid
CID 81243550
4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]pyridine-3-carboxylic acid
CID 114177024

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid?
The IUPAC name of 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid (CID 164651998) is 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid is CC(F)(F)CNc1ccncc1C(=O)O.
What is the InChIKey of 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid?
The InChIKey is CDVSEWNVPXUUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c1-9(10,11)5-13-7-2-3-12-4-6(7)8(14)15/h2-4H,5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid?
4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid has a molecular weight of 216.19 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 164651998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).