(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol

C13H18F2N2O — CID 114215752

IUPAC(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
SMILESCc1ccnc(N)c1C(O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H18F2N2O/c1-8-4-6-17-12(16)10(8)11(18)9-3-2-5-13(14,15)7-9/h4,6,9,11,18H,2-3,5,7H2,1H3,(H2,16,17)
InChIKeyXEWCZJVPYNRWQX-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.83
Rot. Bonds2

About (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol

(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol (PubChem CID 114215752) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol.

Molecular Properties

Compound Name(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
PubChem CID114215752
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol
SMILESCc1ccnc(N)c1C(O)C1CCCC(F)(F)C1
InChIInChI=1S/C13H18F2N2O/c1-8-4-6-17-12(16)10(8)11(18)9-3-2-5-13(14,15)7-9/h4,6,9,11,18H,2-3,5,7H2,1H3,(H2,16,17)
InChIKeyXEWCZJVPYNRWQX-UHFFFAOYSA-N
XLogP2.83
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

alpha-((2-Pyridinylamino)methyl)benzenemethanol
CID 9470
Phenyramidol Hydrochloride
CID 9469
Phenyl(pyridin-3-yl)methanol
CID 234839
(2-Aminopyridin-3-yl)methanol
CID 11159325
Azaperol
CID 3080589
(S)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350942
N-(3-{hydroxy[3-(trifluoromethyl)phenyl]methyl}-2-pyridinyl)-2,2-dimethylpropanamide
CID 5183038
1-Phenyl-3-(4-(pyridin-2-yl)piperazin-1-yl)propan-1-ol
CID 10827876
N-[7-(1-Hydroxy-ethyl)-isoquinolin-1-yl]-guanidine
CID 44339260
(R)-1-(4-Fluoro-phenyl)-4-(4-pyridin-2-yl-piperazin-1-yl)-butan-1-ol
CID 44350991
1-Phenyl-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 2809777
(2-Methylphenyl)(3-pyridinyl)methanol
CID 4179630

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol?
The IUPAC name of (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol (CID 114215752) is (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol.
What is the SMILES notation for (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol?
The canonical SMILES for (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol is Cc1ccnc(N)c1C(O)C1CCCC(F)(F)C1.
What is the InChIKey of (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol?
The InChIKey is XEWCZJVPYNRWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-8-4-6-17-12(16)10(8)11(18)9-3-2-5-13(14,15)7-9/h4,6,9,11,18H,2-3,5,7H2,1H3,(H2,16,17).
What are the key properties of (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol?
(2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol has a molecular weight of 256.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-methyl-3-pyridinyl)-(3,3-difluorocyclohexyl)methanol is sourced from PubChem (CID 114215752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).