3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine

C13H12Cl2FN3 — CID 102753928

IUPAC3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccncc2F)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2FN3/c1-2-4-18-13-10(15)6-9(14)12(19-13)8-3-5-17-7-11(8)16/h3,5-7H,2,4H2,1H3,(H,18,19)
InChIKeyRZSLWAAZWBGWPI-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.41
Rot. Bonds4

About 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine

3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine (PubChem CID 102753928) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
PubChem CID102753928
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
SMILESCCCNc1nc(-c2ccncc2F)c(Cl)cc1Cl
InChIInChI=1S/C13H12Cl2FN3/c1-2-4-18-13-10(15)6-9(14)12(19-13)8-3-5-17-7-11(8)16/h3,5-7H,2,4H2,1H3,(H,18,19)
InChIKeyRZSLWAAZWBGWPI-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(3-methyl-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753551
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
CID 102753661
3,5-dichloro-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102753760
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
3,5-dichloro-6-(3-chlorothiophen-2-yl)-N-propylpyridin-2-amine
CID 107361146
3,5-dichloro-6-(5-methylthiophen-2-yl)-N-propylpyridin-2-amine
CID 102753546
3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
CID 103341839
3,5-dichloro-6-N-(4-chloro-3-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102756873
3,5-dichloro-6-N-(2-fluorophenyl)-2-N-propylpyridine-2,6-diamine
CID 102755165

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine (CID 102753928) is 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine is CCCNc1nc(-c2ccncc2F)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine?
The InChIKey is RZSLWAAZWBGWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c1-2-4-18-13-10(15)6-9(14)12(19-13)8-3-5-17-7-11(8)16/h3,5-7H,2,4H2,1H3,(H,18,19).
What are the key properties of 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine?
3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine has a molecular weight of 300.16 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine is sourced from PubChem (CID 102753928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).