(5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride

C6H7Cl2FN2 — CID 53395622

IUPAC(5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ncc(Cl)cc1F
InChIInChI=1S/C6H6ClFN2.ClH/c7-4-1-5(8)6(2-9)10-3-4;/h1,3H,2,9H2;1H
InChIKeyXIDNJLIIGPAHBJ-UHFFFAOYSA-N
MW197.04 g/mol
LogP1.75
Rot. Bonds1

About (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride

(5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride (PubChem CID 53395622) has the molecular formula C6H7Cl2FN2 and a molecular weight of 197.04 g/mol. Its IUPAC name is (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride
PubChem CID53395622
Molecular FormulaC6H7Cl2FN2
Molecular Weight197.04 g/mol
Exact Mass196.00
IUPAC Name(5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride
SMILESCl.NCc1ncc(Cl)cc1F
InChIInChI=1S/C6H6ClFN2.ClH/c7-4-1-5(8)6(2-9)10-3-4;/h1,3H,2,9H2;1H
InChIKeyXIDNJLIIGPAHBJ-UHFFFAOYSA-N
XLogP1.75
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.04
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride?
The IUPAC name of (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride (CID 53395622) is (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride.
What is the SMILES notation for (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride?
The canonical SMILES for (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride is Cl.NCc1ncc(Cl)cc1F.
What is the InChIKey of (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride?
The InChIKey is XIDNJLIIGPAHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2.ClH/c7-4-1-5(8)6(2-9)10-3-4;/h1,3H,2,9H2;1H.
What are the key properties of (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride?
(5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride has a molecular weight of 197.04 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-fluoro-2-pyridinyl)methanamine;hydrochloride is sourced from PubChem (CID 53395622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).