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

C6H6ClFN2 — CID 71699977

IUPAC(3-chloro-5-fluoro-2-pyridinyl)methanamine
SMILESNCc1ncc(F)cc1Cl
InChIInChI=1S/C6H6ClFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H,2,9H2
InChIKeyKKJMCACONZERJV-UHFFFAOYSA-N
MW160.58 g/mol
LogP1.33
Rot. Bonds1

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

(3-chloro-5-fluoro-2-pyridinyl)methanamine (PubChem CID 71699977) has the molecular formula C6H6ClFN2 and a molecular weight of 160.58 g/mol. Its IUPAC name is (3-chloro-5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(3-chloro-5-fluoro-2-pyridinyl)methanamine
PubChem CID71699977
Molecular FormulaC6H6ClFN2
Molecular Weight160.58 g/mol
Exact Mass160.02
IUPAC Name(3-chloro-5-fluoro-2-pyridinyl)methanamine
SMILESNCc1ncc(F)cc1Cl
InChIInChI=1S/C6H6ClFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H,2,9H2
InChIKeyKKJMCACONZERJV-UHFFFAOYSA-N
XLogP1.33
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.58
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (3-chloro-5-fluoro-2-pyridinyl)methanamine (CID 71699977) is (3-chloro-5-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (3-chloro-5-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (3-chloro-5-fluoro-2-pyridinyl)methanamine is NCc1ncc(F)cc1Cl.
What is the InChIKey of (3-chloro-5-fluoro-2-pyridinyl)methanamine?
The InChIKey is KKJMCACONZERJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClFN2/c7-5-1-4(8)3-10-6(5)2-9/h1,3H,2,9H2.
What are the key properties of (3-chloro-5-fluoro-2-pyridinyl)methanamine?
(3-chloro-5-fluoro-2-pyridinyl)methanamine has a molecular weight of 160.58 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 71699977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).