2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid

C12H14F2N2O2 — CID 90093326

IUPAC2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCC(F)(F)CC1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)5-3-8(4-6-12)16-10-9(11(17)18)2-1-7-15-10/h1-2,7-8H,3-6H2,(H,15,16)(H,17,18)
InChIKeyCZOUBCQRJBHQPL-UHFFFAOYSA-N
MW256.25 g/mol
LogP2.77
Rot. Bonds3

About 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid

2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid (PubChem CID 90093326) has the molecular formula C12H14F2N2O2 and a molecular weight of 256.25 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
PubChem CID90093326
Molecular FormulaC12H14F2N2O2
Molecular Weight256.25 g/mol
Exact Mass256.10
IUPAC Name2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1NC1CCC(F)(F)CC1
InChIInChI=1S/C12H14F2N2O2/c13-12(14)5-3-8(4-6-12)16-10-9(11(17)18)2-1-7-15-10/h1-2,7-8H,3-6H2,(H,15,16)(H,17,18)
InChIKeyCZOUBCQRJBHQPL-UHFFFAOYSA-N
XLogP2.77
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.25
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
2-(cycloheptylamino)pyridine-3-carboxylic acid
CID 43236673
2-[(1-methylazetidin-3-yl)amino]pyridine-3-carboxylic acid
CID 131019802
2-[(3-methylcyclohexyl)amino]pyridine-3-carboxylic acid
CID 43317156
2-[(5,5-dioxo-5λ6-thiaspiro[3.5]nonan-8-yl)amino]pyridine-3-carboxylic acid
CID 166258142
2-[(2,2-diethyloxan-4-yl)amino]pyridine-3-carboxylic acid
CID 83029239
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
2-(cyclobutanecarbonylamino)pyridine-3-carboxylic acid
CID 63654626
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
1-[4-[3-[(4,4-difluorocyclohexyl)amino]pyrazin-2-yl]piperazin-1-yl]prop-2-en-1-one
CID 169204919
2-(cyclopropylamino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 84573642
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid (CID 90093326) is 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid is O=C(O)c1cccnc1NC1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid?
The InChIKey is CZOUBCQRJBHQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O2/c13-12(14)5-3-8(4-6-12)16-10-9(11(17)18)2-1-7-15-10/h1-2,7-8H,3-6H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid?
2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid has a molecular weight of 256.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 90093326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).