2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine

C22H18Cl2F3IN6 — CID 158583951

IUPAC2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine
SMILESCc1cnc(Cl)cc1I.FC(F)(F)c1cnc(Cl)cc1Nc1ccccn1.Nc1ccccn1
InChIInChI=1S/C11H7ClF3N3.C6H5ClIN.C5H6N2/c12-9-5-8(7(6-17-9)11(13,14)15)18-10-3-1-2-4-16-10;1-4-3-9-6(7)2-5(4)8;6-5-3-1-2-4-7-5/h1-6H,(H,16,17,18);2-3H,1H3;1-4H,(H2,6,7)
InChIKeyHTPBWZFJRZAGIS-UHFFFAOYSA-N
MW621.23 g/mol
LogP7.20
Rot. Bonds2

About 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine

2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine (PubChem CID 158583951) has the molecular formula C22H18Cl2F3IN6 and a molecular weight of 621.23 g/mol. Its IUPAC name is 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine.

Molecular Properties

Compound Name2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine
PubChem CID158583951
Molecular FormulaC22H18Cl2F3IN6
Molecular Weight621.23 g/mol
Exact Mass620.00
IUPAC Name2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine
SMILESCc1cnc(Cl)cc1I.FC(F)(F)c1cnc(Cl)cc1Nc1ccccn1.Nc1ccccn1
InChIInChI=1S/C11H7ClF3N3.C6H5ClIN.C5H6N2/c12-9-5-8(7(6-17-9)11(13,14)15)18-10-3-1-2-4-16-10;1-4-3-9-6(7)2-5(4)8;6-5-3-1-2-4-7-5/h1-6H,(H,16,17,18);2-3H,1H3;1-4H,(H2,6,7)
InChIKeyHTPBWZFJRZAGIS-UHFFFAOYSA-N
XLogP7.20
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.23
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 68405487
5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 68405622
5-chloro-N-piperidin-4-yl-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]pyridin-2-amine
CID 70794041
N1-[5-chloro-6-methyl-2-(4-pyridyl)pyrimidin-4-yl]-N2-[3-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
CID 2725961
N1-[5-chloro-6-methyl-2-(4-pyridyl)pyrimidin-4-yl]-N2-[5-(trifluoromethyl)-2-pyridyl]ethane-1,2-diamine
CID 2725968
5-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2796249
1-(3,5-Dichloro-4-pyridinyl)-4-(5-pyridin-3-yl-2-pyridinyl)piperazine
CID 126469462
[6-(5-Chloro-pyridin-2-yl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4-yl]-[(R)-1-(6-trifluoromethyl-pyridin-3-yl)-ethyl]-amine
CID 25033576
4-N-(4-chlorophenyl)-2-N,2-N-dimethyl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine-2,4-diamine
CID 58972716
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972746
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972782

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine?
The IUPAC name of 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine (CID 158583951) is 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine.
What is the SMILES notation for 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine?
The canonical SMILES for 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine is Cc1cnc(Cl)cc1I.FC(F)(F)c1cnc(Cl)cc1Nc1ccccn1.Nc1ccccn1.
What is the InChIKey of 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine?
The InChIKey is HTPBWZFJRZAGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N3.C6H5ClIN.C5H6N2/c12-9-5-8(7(6-17-9)11(13,14)15)18-10-3-1-2-4-16-10;1-4-3-9-6(7)2-5(4)8;6-5-3-1-2-4-7-5/h1-6H,(H,16,17,18);2-3H,1H3;1-4H,(H2,6,7).
What are the key properties of 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine?
2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine has a molecular weight of 621.23 g/mol, XLogP of 7.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-5-methylpyridine;2-chloro-N-pyridin-2-yl-5-(trifluoromethyl)pyridin-4-amine;pyridin-2-amine is sourced from PubChem (CID 158583951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).