6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane

C13H15ClFN3 — CID 170589697

IUPAC6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane
SMILESCC.Cc1cc(Cl)ncc1Nc1ncccc1F
InChIInChI=1S/C11H9ClFN3.C2H6/c1-7-5-10(12)15-6-9(7)16-11-8(13)3-2-4-14-11;1-2/h2-6H,1H3,(H,14,16);1-2H3
InChIKeyGSTYVJFNAOPFHJ-UHFFFAOYSA-N
MW267.74 g/mol
LogP4.35
Rot. Bonds2

About 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane

6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane (PubChem CID 170589697) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane.

Molecular Properties

Compound Name6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane
PubChem CID170589697
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane
SMILESCC.Cc1cc(Cl)ncc1Nc1ncccc1F
InChIInChI=1S/C11H9ClFN3.C2H6/c1-7-5-10(12)15-6-9(7)16-11-8(13)3-2-4-14-11;1-2/h2-6H,1H3,(H,14,16);1-2H3
InChIKeyGSTYVJFNAOPFHJ-UHFFFAOYSA-N
XLogP4.35
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N,4-dimethylpyridin-3-amine
CID 58354941
3-fluoro-N-(4-iodo-3-pyridinyl)pyridin-2-amine
CID 170346573
6-chloro-4-methyl-N-(pyridin-2-ylmethyl)pyridin-3-amine
CID 104599914
[2-(4-chloro-2-methylanilino)-3-pyridinyl]methanol
CID 82087006
2-N-(5-chloro-2-methylphenyl)pyridine-2,3-diamine
CID 28846305
2-N-[5-[(3-amino-2-pyridinyl)amino]-2,4-dimethylphenyl]pyridine-2,3-diamine
CID 164754587
2-(4-chloro-2-methylanilino)pyridine-3-carboxamide
CID 901918
3-fluoro-N-propan-2-ylpyridin-2-amine
CID 62733783
6-chloro-4-methyl-N-propylpyridin-3-amine
CID 130497608
6-chloro-N-(2,3-difluorophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 166539805
(3-fluoro-2-pyridinyl)hydrazine;hydrochloride
CID 137345944
3-bromo-N-(2-fluorophenyl)pyridin-2-amine
CID 61373543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane?
The IUPAC name of 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane (CID 170589697) is 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane.
What is the SMILES notation for 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane?
The canonical SMILES for 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane is CC.Cc1cc(Cl)ncc1Nc1ncccc1F.
What is the InChIKey of 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane?
The InChIKey is GSTYVJFNAOPFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3.C2H6/c1-7-5-10(12)15-6-9(7)16-11-8(13)3-2-4-14-11;1-2/h2-6H,1H3,(H,14,16);1-2H3.
What are the key properties of 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane?
6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane has a molecular weight of 267.74 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluoro-2-pyridinyl)-4-methylpyridin-3-amine;ethane is sourced from PubChem (CID 170589697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).