3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine

C12H10Cl2FN3 — CID 102755761

IUPAC3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESNc1nc(NCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2FN3/c13-9-5-10(14)12(18-11(9)16)17-6-7-2-1-3-8(15)4-7/h1-5H,6H2,(H3,16,17,18)
InChIKeyBJFVVHONVPYYDM-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.72
Rot. Bonds3

About 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine

3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine (PubChem CID 102755761) has the molecular formula C12H10Cl2FN3 and a molecular weight of 286.14 g/mol. Its IUPAC name is 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
PubChem CID102755761
Molecular FormulaC12H10Cl2FN3
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine
SMILESNc1nc(NCc2cccc(F)c2)c(Cl)cc1Cl
InChIInChI=1S/C12H10Cl2FN3/c13-9-5-10(14)12(18-11(9)16)17-6-7-2-1-3-8(15)4-7/h1-5H,6H2,(H3,16,17,18)
InChIKeyBJFVVHONVPYYDM-UHFFFAOYSA-N
XLogP3.72
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]pyridine-2,6-diamine
CID 102756174
3,5-dichloro-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756384
3-N-[(3-fluorophenyl)methyl]quinoxaline-2,3-diamine
CID 102983663
6-chloro-4-N-[(3-fluorophenyl)methyl]pyrimidine-4,5-diamine
CID 14022412
2-chloro-5-fluoro-N-[(3-fluorophenyl)methyl]pyrimidin-4-amine
CID 79080713
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516
3,5-dichloro-6-N-[2-(3-fluorophenyl)ethyl]-2-N-methylpyridine-2,6-diamine
CID 102756176
2-chloro-4-N-[(3-fluorophenyl)methyl]-5-methylbenzene-1,4-diamine
CID 113334152
2-chloro-N-[(3-fluorophenyl)methyl]pyrido[3,2-d]pyrimidin-4-amine
CID 118239615
3,5-dichloro-2-N-ethyl-6-N-[(3-methylphenyl)methyl]pyridine-2,6-diamine
CID 102756388

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine (CID 102755761) is 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine is Nc1nc(NCc2cccc(F)c2)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
The InChIKey is BJFVVHONVPYYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN3/c13-9-5-10(14)12(18-11(9)16)17-6-7-2-1-3-8(15)4-7/h1-5H,6H2,(H3,16,17,18).
What are the key properties of 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine?
3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine has a molecular weight of 286.14 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-[(3-fluorophenyl)methyl]pyridine-2,6-diamine is sourced from PubChem (CID 102755761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).