5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine

C11H10ClFN4 — CID 79727232

IUPAC5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
SMILESCc1cnc(CNc2ncc(Cl)cc2F)cn1
InChIInChI=1S/C11H10ClFN4/c1-7-3-15-9(5-14-7)6-17-11-10(13)2-8(12)4-16-11/h2-5H,6H2,1H3,(H,16,17)
InChIKeyLDLVXOBCCVHCJQ-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.58
Rot. Bonds3

About 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine

5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine (PubChem CID 79727232) has the molecular formula C11H10ClFN4 and a molecular weight of 252.68 g/mol. Its IUPAC name is 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
PubChem CID79727232
Molecular FormulaC11H10ClFN4
Molecular Weight252.68 g/mol
Exact Mass252.06
IUPAC Name5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine
SMILESCc1cnc(CNc2ncc(Cl)cc2F)cn1
InChIInChI=1S/C11H10ClFN4/c1-7-3-15-9(5-14-7)6-17-11-10(13)2-8(12)4-16-11/h2-5H,6H2,1H3,(H,16,17)
InChIKeyLDLVXOBCCVHCJQ-UHFFFAOYSA-N
XLogP2.58
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine (CID 79727232) is 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine is Cc1cnc(CNc2ncc(Cl)cc2F)cn1.
What is the InChIKey of 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine?
The InChIKey is LDLVXOBCCVHCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN4/c1-7-3-15-9(5-14-7)6-17-11-10(13)2-8(12)4-16-11/h2-5H,6H2,1H3,(H,16,17).
What are the key properties of 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine?
5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine has a molecular weight of 252.68 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-N-[(5-methylpyrazin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 79727232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).