5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine

C10H12ClFN2O — CID 79727736

IUPAC5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NC1CCCOC1
InChIInChI=1S/C10H12ClFN2O/c11-7-4-9(12)10(13-5-7)14-8-2-1-3-15-6-8/h4-5,8H,1-3,6H2,(H,13,14)
InChIKeyCSIVEYGNTUDMNV-UHFFFAOYSA-N
MW230.67 g/mol
LogP2.46
Rot. Bonds2

About 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine

5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine (PubChem CID 79727736) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
PubChem CID79727736
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine
SMILESFc1cc(Cl)cnc1NC1CCCOC1
InChIInChI=1S/C10H12ClFN2O/c11-7-4-9(12)10(13-5-7)14-8-2-1-3-15-6-8/h4-5,8H,1-3,6H2,(H,13,14)
InChIKeyCSIVEYGNTUDMNV-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-fluoro-N-(oxan-4-yl)pyridin-2-amine
CID 79728129
5-chloro-N-cyclobutyl-3-fluoropyridin-2-amine
CID 79727841
5-chloro-3-fluoro-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 79728230
5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
CID 114539767
5-fluoro-6-[[(3R)-oxolan-3-yl]amino]pyridine-3-carboxylic acid
CID 167971128
5-chloro-3-fluoro-N-(1-methylpiperidin-3-yl)pyridin-2-amine
CID 79728337
N-[3-(aminomethyl)cyclohexyl]-5-chloro-3-fluoropyridin-2-amine
CID 112753140
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727237
2,5-dichloro-N-(oxan-3-yl)pyrimidin-4-amine
CID 79633134
5-chloro-3-fluoro-N-[1-(oxolan-3-yl)ethyl]pyridin-2-amine
CID 115681781
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
5-fluoro-N-[(3R)-oxan-3-yl]pyrimidin-2-amine
CID 127015469

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine (CID 79727736) is 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine is Fc1cc(Cl)cnc1NC1CCCOC1.
What is the InChIKey of 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine?
The InChIKey is CSIVEYGNTUDMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-7-4-9(12)10(13-5-7)14-8-2-1-3-15-6-8/h4-5,8H,1-3,6H2,(H,13,14).
What are the key properties of 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine?
5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine has a molecular weight of 230.67 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(oxan-3-yl)pyridin-2-amine is sourced from PubChem (CID 79727736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).