3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine

C10H15ClFN3 — CID 79718360

IUPAC3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C10H15ClFN3/c1-7(3-4-13)15(2)10-9(12)5-8(11)6-14-10/h5-7H,3-4,13H2,1-2H3
InChIKeyTUUIPCNQAUCIKV-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.05
Rot. Bonds4

About 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine

3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine (PubChem CID 79718360) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
PubChem CID79718360
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ncc(Cl)cc1F
InChIInChI=1S/C10H15ClFN3/c1-7(3-4-13)15(2)10-9(12)5-8(11)6-14-10/h5-7H,3-4,13H2,1-2H3
InChIKeyTUUIPCNQAUCIKV-UHFFFAOYSA-N
XLogP2.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine (CID 79718360) is 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine is CC(CCN)N(C)c1ncc(Cl)cc1F.
What is the InChIKey of 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine?
The InChIKey is TUUIPCNQAUCIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-7(3-4-13)15(2)10-9(12)5-8(11)6-14-10/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine?
3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine has a molecular weight of 231.70 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloro-3-fluoro-2-pyridinyl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 79718360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).