(6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde

C10H8Cl3N3OS — CID 160877797

IUPAC(6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde
SMILESNCc1ccc(Cl)nc1.O=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C6H7ClN2.C4HCl2NOS/c7-6-2-1-5(3-8)4-9-6;5-3-2(1-8)9-4(6)7-3/h1-2,4H,3,8H2;1H
InChIKeySMPZAFWANJKJLJ-UHFFFAOYSA-N
MW324.62 g/mol
LogP3.46
Rot. Bonds2

About (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde

(6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde (PubChem CID 160877797) has the molecular formula C10H8Cl3N3OS and a molecular weight of 324.62 g/mol. Its IUPAC name is (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name(6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde
PubChem CID160877797
Molecular FormulaC10H8Cl3N3OS
Molecular Weight324.62 g/mol
Exact Mass322.95
IUPAC Name(6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde
SMILESNCc1ccc(Cl)nc1.O=Cc1sc(Cl)nc1Cl
InChIInChI=1S/C6H7ClN2.C4HCl2NOS/c7-6-2-1-5(3-8)4-9-6;5-3-2(1-8)9-4(6)7-3/h1-2,4H,3,8H2;1H
InChIKeySMPZAFWANJKJLJ-UHFFFAOYSA-N
XLogP3.46
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.62
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)methylamino]-1,3-thiazole-5-carbaldehyde
CID 88946989
3-(6-chloro-3-pyridinyl)propan-1-amine
CID 55266359
2-chloro-5-(iodomethyl)pyridine
CID 11149463
4-amino-2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 104680894
N'-[(6-chloro-3-pyridinyl)methyl]propane-1,3-diamine;hydrochloride
CID 86584506
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
(6-chloro-3-pyridinyl)methylhydrazine;hydrochloride
CID 53229944
(6-chloro-3-pyridinyl)methanamine;(2-methyl-4-pyridinyl)boronic acid;[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine
CID 160903506
(6-bromo-3-pyridinyl)methanamine
CID 22450529
5-(tert-butylsulfonylmethyl)-2-chloropyridine
CID 158112279
4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460
2-chloro-5-(1,2,4-triazol-4-ylmethyl)pyridine
CID 178122205

Frequently Asked Questions

What is the IUPAC name of (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde?
The IUPAC name of (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde (CID 160877797) is (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde is NCc1ccc(Cl)nc1.O=Cc1sc(Cl)nc1Cl.
What is the InChIKey of (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde?
The InChIKey is SMPZAFWANJKJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2.C4HCl2NOS/c7-6-2-1-5(3-8)4-9-6;5-3-2(1-8)9-4(6)7-3/h1-2,4H,3,8H2;1H.
What are the key properties of (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde?
(6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde has a molecular weight of 324.62 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-3-pyridinyl)methanamine;2,4-dichloro-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 160877797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).