8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine

C9H9ClFN5 — CID 167272448

IUPAC8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine
SMILESCN(N)c1c(N)nc(Cl)c2cc(F)cnc12
InChIInChI=1S/C9H9ClFN5/c1-16(13)7-6-5(2-4(11)3-14-6)8(10)15-9(7)12/h2-3H,13H2,1H3,(H2,12,15)
InChIKeyVRDPBFYNDYDIKA-UHFFFAOYSA-N
MW241.66 g/mol
LogP1.31
Rot. Bonds1

About 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine

8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine (PubChem CID 167272448) has the molecular formula C9H9ClFN5 and a molecular weight of 241.66 g/mol. Its IUPAC name is 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine.

Molecular Properties

Compound Name8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine
PubChem CID167272448
Molecular FormulaC9H9ClFN5
Molecular Weight241.66 g/mol
Exact Mass241.05
IUPAC Name8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine
SMILESCN(N)c1c(N)nc(Cl)c2cc(F)cnc12
InChIInChI=1S/C9H9ClFN5/c1-16(13)7-6-5(2-4(11)3-14-6)8(10)15-9(7)12/h2-3H,13H2,1H3,(H2,12,15)
InChIKeyVRDPBFYNDYDIKA-UHFFFAOYSA-N
XLogP1.31
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.66
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine?
The IUPAC name of 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine (CID 167272448) is 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine.
What is the SMILES notation for 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine?
The canonical SMILES for 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine is CN(N)c1c(N)nc(Cl)c2cc(F)cnc12.
What is the InChIKey of 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine?
The InChIKey is VRDPBFYNDYDIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClFN5/c1-16(13)7-6-5(2-4(11)3-14-6)8(10)15-9(7)12/h2-3H,13H2,1H3,(H2,12,15).
What are the key properties of 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine?
8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine has a molecular weight of 241.66 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino(methyl)amino]-5-chloro-3-fluoro-1,6-naphthyridin-7-amine is sourced from PubChem (CID 167272448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).