4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine

C9H16FN3 — CID 167485615

IUPAC4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine
SMILESCC(CCF)C1(N)C=CN=C(N)C1
InChIInChI=1S/C9H16FN3/c1-7(2-4-10)9(12)3-5-13-8(11)6-9/h3,5,7H,2,4,6,12H2,1H3,(H2,11,13)
InChIKeyPIZGXIVGHZBTOX-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.95
Rot. Bonds3

About 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine

4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine (PubChem CID 167485615) has the molecular formula C9H16FN3 and a molecular weight of 185.25 g/mol. Its IUPAC name is 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine.

Molecular Properties

Compound Name4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine
PubChem CID167485615
Molecular FormulaC9H16FN3
Molecular Weight185.25 g/mol
Exact Mass185.13
IUPAC Name4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine
SMILESCC(CCF)C1(N)C=CN=C(N)C1
InChIInChI=1S/C9H16FN3/c1-7(2-4-10)9(12)3-5-13-8(11)6-9/h3,5,7H,2,4,6,12H2,1H3,(H2,11,13)
InChIKeyPIZGXIVGHZBTOX-UHFFFAOYSA-N
XLogP0.95
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-difluoropropan-2-yl)-3H-pyridine-2,4-diamine
CID 167485613
4-(3-fluorocyclohexyl)-3H-pyridine-2,4-diamine
CID 167485619
4-(4-fluorocyclohexyl)-3H-pyridine-2,4-diamine
CID 167485625
4-[1-(2-fluoroethyl)piperidin-4-yl]-3H-pyridine-2,4-diamine
CID 167485631
4-[1-(2-fluoroethyl)piperidin-3-yl]-3H-pyridine-2,4-diamine
CID 167485635
4-[4-(2-fluoroethyl)cyclohexyl]-3H-pyridine-2,4-diamine
CID 167485638
4-propyl-3H-pyridine-2,4-diamine
CID 70580143
4-propan-2-yl-3H-pyridine-2,4-diamine
CID 167485611

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine?
The IUPAC name of 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine (CID 167485615) is 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine.
What is the SMILES notation for 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine?
The canonical SMILES for 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine is CC(CCF)C1(N)C=CN=C(N)C1.
What is the InChIKey of 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine?
The InChIKey is PIZGXIVGHZBTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN3/c1-7(2-4-10)9(12)3-5-13-8(11)6-9/h3,5,7H,2,4,6,12H2,1H3,(H2,11,13).
What are the key properties of 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine?
4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine has a molecular weight of 185.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobutan-2-yl)-3H-pyridine-2,4-diamine is sourced from PubChem (CID 167485615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).