6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid

C13H16F2N2O2 — CID 122058210

IUPAC6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCC(C(F)F)CC2)n1
InChIInChI=1S/C13H16F2N2O2/c14-12(15)8-4-6-9(7-5-8)16-11-3-1-2-10(17-11)13(18)19/h1-3,8-9,12H,4-7H2,(H,16,17)(H,18,19)
InChIKeyBPGNXDZMMINJLN-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.02
Rot. Bonds4

About 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid

6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid (PubChem CID 122058210) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
PubChem CID122058210
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(NC2CCC(C(F)F)CC2)n1
InChIInChI=1S/C13H16F2N2O2/c14-12(15)8-4-6-9(7-5-8)16-11-3-1-2-10(17-11)13(18)19/h1-3,8-9,12H,4-7H2,(H,16,17)(H,18,19)
InChIKeyBPGNXDZMMINJLN-UHFFFAOYSA-N
XLogP3.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1-cyclohexylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 122048859
6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053315
4-[(6-carbamoyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 64587755
6-[(3,3-dimethylcyclopentyl)amino]pyridine-2-carboxylic acid
CID 114541236
[6-(cyclopropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 84570721
6-[(2-methylcyclopropyl)amino]pyridine-2-carboxylic acid
CID 62409955
6-[[3-(3-fluorophenyl)cyclobutyl]amino]pyridine-2-carboxylic acid
CID 122057127
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
6-(cyclopropylamino)-N-naphthalen-2-ylpyridine-2-carboxamide
CID 84573389
6-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 84573387
6-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122053952
6-[(2-methoxycyclopentyl)amino]pyridine-2-carboxylic acid
CID 62238707

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid (CID 122058210) is 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(NC2CCC(C(F)F)CC2)n1.
What is the InChIKey of 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid?
The InChIKey is BPGNXDZMMINJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-12(15)8-4-6-9(7-5-8)16-11-3-1-2-10(17-11)13(18)19/h1-3,8-9,12H,4-7H2,(H,16,17)(H,18,19).
What are the key properties of 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid?
6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(difluoromethyl)cyclohexyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 122058210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).