3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine

C12H13Cl2N3 — CID 103341839

IUPAC3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
SMILESCCCNc1nc(-c2ccc[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-2-5-16-12-9(14)7-8(13)11(17-12)10-4-3-6-15-10/h3-4,6-7,15H,2,5H2,1H3,(H,16,17)
InChIKeyDQIPNZHUQXXXIH-UHFFFAOYSA-N
MW270.16 g/mol
LogP4.21
Rot. Bonds4

About 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine

3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine (PubChem CID 103341839) has the molecular formula C12H13Cl2N3 and a molecular weight of 270.16 g/mol. Its IUPAC name is 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
PubChem CID103341839
Molecular FormulaC12H13Cl2N3
Molecular Weight270.16 g/mol
Exact Mass269.05
IUPAC Name3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine
SMILESCCCNc1nc(-c2ccc[nH]2)c(Cl)cc1Cl
InChIInChI=1S/C12H13Cl2N3/c1-2-5-16-12-9(14)7-8(13)11(17-12)10-4-3-6-15-10/h3-4,6-7,15H,2,5H2,1H3,(H,16,17)
InChIKeyDQIPNZHUQXXXIH-UHFFFAOYSA-N
XLogP4.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-6-(3-fluorophenyl)-N-propylpyridin-2-amine
CID 102753089
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-6-(2,5-difluorophenyl)-N-propylpyridin-2-amine
CID 102753304
3,5-dichloro-6-(4-chloro-2-fluorophenyl)-N-propylpyridin-2-amine
CID 102753661
3,5-dichloro-6-(3,4-difluorophenyl)-N-propylpyridin-2-amine
CID 102753267
3,5-dichloro-N-propyl-6-(2,4,5-trifluorophenyl)pyridin-2-amine
CID 102753760
6-N-benzyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
CID 102755576
5-methoxy-N-propyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341833
3,5-dichloro-6-(4-chloro-3-methoxyphenyl)-N-propylpyridin-2-amine
CID 102753582
3,5-dichloro-6-(3-methyl-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753551
3,5-dichloro-6-(3-fluoro-4-pyridinyl)-N-propylpyridin-2-amine
CID 102753928

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine (CID 103341839) is 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine is CCCNc1nc(-c2ccc[nH]2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine?
The InChIKey is DQIPNZHUQXXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3/c1-2-5-16-12-9(14)7-8(13)11(17-12)10-4-3-6-15-10/h3-4,6-7,15H,2,5H2,1H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine?
3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine has a molecular weight of 270.16 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-propyl-6-(1H-pyrrol-2-yl)pyridin-2-amine is sourced from PubChem (CID 103341839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).