1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol

C13H18ClFN2O — CID 79728355

IUPAC1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
SMILESOC1(CNc2ncc(Cl)cc2F)CCCCCC1
InChIInChI=1S/C13H18ClFN2O/c14-10-7-11(15)12(16-8-10)17-9-13(18)5-3-1-2-4-6-13/h7-8,18H,1-6,9H2,(H,16,17)
InChIKeyANYHQCYNKCKUQG-UHFFFAOYSA-N
MW272.75 g/mol
LogP3.37
Rot. Bonds3

About 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol

1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol (PubChem CID 79728355) has the molecular formula C13H18ClFN2O and a molecular weight of 272.75 g/mol. Its IUPAC name is 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
PubChem CID79728355
Molecular FormulaC13H18ClFN2O
Molecular Weight272.75 g/mol
Exact Mass272.11
IUPAC Name1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol
SMILESOC1(CNc2ncc(Cl)cc2F)CCCCCC1
InChIInChI=1S/C13H18ClFN2O/c14-10-7-11(15)12(16-8-10)17-9-13(18)5-3-1-2-4-6-13/h7-8,18H,1-6,9H2,(H,16,17)
InChIKeyANYHQCYNKCKUQG-UHFFFAOYSA-N
XLogP3.37
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.75
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol with MolForge

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Related Compounds

1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79728045
1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 114835960
1-[[(2-chloro-5-fluoropyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 79075802
5-chloro-3-fluoro-N-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 103743095
4-[[(3,5-dichloro-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81130477
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
N-[1-(aminomethyl)cyclopentyl]-5-chloro-3-fluoropyridin-2-amine
CID 79727651
5-bromo-N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridin-2-amine
CID 114047951
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
1-[(2-bromo-4-chloroanilino)methyl]cyclohexan-1-ol
CID 81270602
[1-[[(3-bromo-5-chloro-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 114836032

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol (CID 79728355) is 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol is OC1(CNc2ncc(Cl)cc2F)CCCCCC1.
What is the InChIKey of 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
The InChIKey is ANYHQCYNKCKUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O/c14-10-7-11(15)12(16-8-10)17-9-13(18)5-3-1-2-4-6-13/h7-8,18H,1-6,9H2,(H,16,17).
What are the key properties of 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol?
1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol has a molecular weight of 272.75 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-chloro-3-fluoro-2-pyridinyl)amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 79728355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).