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

C10H15ClFN3 — CID 79728261

IUPAC1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1ncc(Cl)cc1F
InChIInChI=1S/C10H15ClFN3/c1-6(2)9(13)5-15-10-8(12)3-7(11)4-14-10/h3-4,6,9H,5,13H2,1-2H3,(H,14,15)
InChIKeySNGSETRVSUWBRI-UHFFFAOYSA-N
MW231.70 g/mol
LogP2.27
Rot. Bonds4

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

1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine (PubChem CID 79728261) has the molecular formula C10H15ClFN3 and a molecular weight of 231.70 g/mol. Its IUPAC name is 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
PubChem CID79728261
Molecular FormulaC10H15ClFN3
Molecular Weight231.70 g/mol
Exact Mass231.09
IUPAC Name1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine
SMILESCC(C)C(N)CNc1ncc(Cl)cc1F
InChIInChI=1S/C10H15ClFN3/c1-6(2)9(13)5-15-10-8(12)3-7(11)4-14-10/h3-4,6,9H,5,13H2,1-2H3,(H,14,15)
InChIKeySNGSETRVSUWBRI-UHFFFAOYSA-N
XLogP2.27
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.70
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutan-2-amine
CID 79734658
1-N-(5-chloro-3-fluoro-2-pyridinyl)-2-methylpropane-1,2-diamine
CID 79867421
5-chloro-N-(2,2-difluoropropyl)-3-fluoropyridin-2-amine
CID 130639761
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,3-dimethylbutane-1,2-diamine
CID 115311005
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 79727927
5-chloro-3-fluoro-N-(2-fluoroethyl)pyridin-2-amine
CID 130478073
5-chloro-3-fluoro-N-(4-methylpentan-2-yl)pyridin-2-amine
CID 79728229
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]acetamide
CID 79727822
5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
2-N-(5-chloro-3-fluoro-2-pyridinyl)-2,4-dimethylpentane-1,2-diamine
CID 115310284
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
5-chloro-3-fluoro-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 115681787

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine?
The IUPAC name of 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine (CID 79728261) is 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine is CC(C)C(N)CNc1ncc(Cl)cc1F.
What is the InChIKey of 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine?
The InChIKey is SNGSETRVSUWBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClFN3/c1-6(2)9(13)5-15-10-8(12)3-7(11)4-14-10/h3-4,6,9H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine?
1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine has a molecular weight of 231.70 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloro-3-fluoro-2-pyridinyl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 79728261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).