5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine

C11H9ClFN3 — CID 107586511

IUPAC5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
SMILESCc1cncc(Nc2ncc(Cl)cc2F)c1
InChIInChI=1S/C11H9ClFN3/c1-7-2-9(6-14-4-7)16-11-10(13)3-8(12)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeySMYYWSHGHMPYPV-UHFFFAOYSA-N
MW237.67 g/mol
LogP3.32
Rot. Bonds2

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

5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine (PubChem CID 107586511) has the molecular formula C11H9ClFN3 and a molecular weight of 237.67 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
PubChem CID107586511
Molecular FormulaC11H9ClFN3
Molecular Weight237.67 g/mol
Exact Mass237.05
IUPAC Name5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine
SMILESCc1cncc(Nc2ncc(Cl)cc2F)c1
InChIInChI=1S/C11H9ClFN3/c1-7-2-9(6-14-4-7)16-11-10(13)3-8(12)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeySMYYWSHGHMPYPV-UHFFFAOYSA-N
XLogP3.32
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine (CID 107586511) is 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine is Cc1cncc(Nc2ncc(Cl)cc2F)c1.
What is the InChIKey of 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine?
The InChIKey is SMYYWSHGHMPYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3/c1-7-2-9(6-14-4-7)16-11-10(13)3-8(12)5-15-11/h2-6H,1H3,(H,15,16).
What are the key properties of 5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine?
5-chloro-3-fluoro-N-(5-methyl-3-pyridinyl)pyridin-2-amine has a molecular weight of 237.67 g/mol, XLogP of 3.32, 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-(5-methyl-3-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 107586511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).