(4-chloro-8-fluorocinnolin-3-yl)methanamine

C9H7ClFN3 — CID 83885596

IUPAC(4-chloro-8-fluorocinnolin-3-yl)methanamine
SMILESNCc1nnc2c(F)cccc2c1Cl
InChIInChI=1S/C9H7ClFN3/c10-8-5-2-1-3-6(11)9(5)14-13-7(8)4-12/h1-3H,4,12H2
InChIKeyXJPVKPSHGQMXGX-UHFFFAOYSA-N
MW211.63 g/mol
LogP1.88
Rot. Bonds1

About (4-chloro-8-fluorocinnolin-3-yl)methanamine

(4-chloro-8-fluorocinnolin-3-yl)methanamine (PubChem CID 83885596) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is (4-chloro-8-fluorocinnolin-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-8-fluorocinnolin-3-yl)methanamine
PubChem CID83885596
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC Name(4-chloro-8-fluorocinnolin-3-yl)methanamine
SMILESNCc1nnc2c(F)cccc2c1Cl
InChIInChI=1S/C9H7ClFN3/c10-8-5-2-1-3-6(11)9(5)14-13-7(8)4-12/h1-3H,4,12H2
InChIKeyXJPVKPSHGQMXGX-UHFFFAOYSA-N
XLogP1.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-8-fluoroquinazolin-2-yl)methanamine
CID 84781950
[1-[(2-chloro-3-fluorophenyl)methyl]indazol-3-yl]methanamine
CID 115984346
4-chloro-8-fluoro-2,3-dimethylquinoline
CID 60994965
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
2-(aminomethyl)-8-fluoroquinoline-4-carboxylic acid
CID 84623455
2-(4-chloro-8-fluoroquinolin-3-yl)acetaldehyde
CID 87427540
2-(2-aminoethyl)-8-fluoro-N,N-dimethylquinolin-4-amine
CID 82243092
2-(aminomethyl)-8-fluoro-N-methylquinolin-4-amine
CID 84673149
[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83050664
3-chloro-7-fluoro-2-propan-2-ylindazole
CID 84723451
[5-(2-chloro-6-fluorophenyl)-1,3-oxazol-4-yl]methanamine
CID 79139055
2-bromo-4-chloro-8-fluoroquinazoline
CID 84806834

Frequently Asked Questions

What is the IUPAC name of (4-chloro-8-fluorocinnolin-3-yl)methanamine?
The IUPAC name of (4-chloro-8-fluorocinnolin-3-yl)methanamine (CID 83885596) is (4-chloro-8-fluorocinnolin-3-yl)methanamine.
What is the SMILES notation for (4-chloro-8-fluorocinnolin-3-yl)methanamine?
The canonical SMILES for (4-chloro-8-fluorocinnolin-3-yl)methanamine is NCc1nnc2c(F)cccc2c1Cl.
What is the InChIKey of (4-chloro-8-fluorocinnolin-3-yl)methanamine?
The InChIKey is XJPVKPSHGQMXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-8-5-2-1-3-6(11)9(5)14-13-7(8)4-12/h1-3H,4,12H2.
What are the key properties of (4-chloro-8-fluorocinnolin-3-yl)methanamine?
(4-chloro-8-fluorocinnolin-3-yl)methanamine has a molecular weight of 211.63 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-8-fluorocinnolin-3-yl)methanamine is sourced from PubChem (CID 83885596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).