6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide

C12H10ClFN2 — CID 20595161

IUPAC6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(F)c(Cl)cc2cc1C
InChIInChI=1S/C12H10ClFN2/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyCQVIDXJUDANVBP-UHFFFAOYSA-N
MW236.68 g/mol
LogP3.22
Rot. Bonds1

About 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide

6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide (PubChem CID 20595161) has the molecular formula C12H10ClFN2 and a molecular weight of 236.68 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide
PubChem CID20595161
Molecular FormulaC12H10ClFN2
Molecular Weight236.68 g/mol
Exact Mass236.05
IUPAC Name6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2cc(F)c(Cl)cc2cc1C
InChIInChI=1S/C12H10ClFN2/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16)
InChIKeyCQVIDXJUDANVBP-UHFFFAOYSA-N
XLogP3.22
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.68
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide?
The IUPAC name of 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide (CID 20595161) is 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide.
What is the SMILES notation for 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide?
The canonical SMILES for 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide is [H]/N=C(\N)c1cc2cc(F)c(Cl)cc2cc1C.
What is the InChIKey of 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide?
The InChIKey is CQVIDXJUDANVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2/c1-6-2-7-4-10(13)11(14)5-8(7)3-9(6)12(15)16/h2-5H,1H3,(H3,15,16).
What are the key properties of 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide?
6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide has a molecular weight of 236.68 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-methylnaphthalene-2-carboximidamide is sourced from PubChem (CID 20595161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).