5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine

C11H14ClFN2 — CID 114539767

IUPAC5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
SMILESCC1CCC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C11H14ClFN2/c1-7-2-3-9(4-7)15-11-10(13)5-8(12)6-14-11/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyDNVDHNUKAJGPRL-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.47
Rot. Bonds2

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

5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine (PubChem CID 114539767) has the molecular formula C11H14ClFN2 and a molecular weight of 228.70 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
PubChem CID114539767
Molecular FormulaC11H14ClFN2
Molecular Weight228.70 g/mol
Exact Mass228.08
IUPAC Name5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine
SMILESCC1CCC(Nc2ncc(Cl)cc2F)C1
InChIInChI=1S/C11H14ClFN2/c1-7-2-3-9(4-7)15-11-10(13)5-8(12)6-14-11/h5-7,9H,2-4H2,1H3,(H,14,15)
InChIKeyDNVDHNUKAJGPRL-UHFFFAOYSA-N
XLogP3.47
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine (CID 114539767) is 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine is CC1CCC(Nc2ncc(Cl)cc2F)C1.
What is the InChIKey of 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine?
The InChIKey is DNVDHNUKAJGPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2/c1-7-2-3-9(4-7)15-11-10(13)5-8(12)6-14-11/h5-7,9H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine has a molecular weight of 228.70 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-(3-methylcyclopentyl)pyridin-2-amine is sourced from PubChem (CID 114539767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).