6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine

C30H22ClFN4 — CID 144795213

IUPAC6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine
SMILES[H]/N=C(\c1ccnc(F)c1)c1cc(Cl)ncc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22ClFN4/c31-27-19-25(29(33)21-16-17-34-28(32)18-21)26(20-35-27)36-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20,33,36H/b33-29+
InChIKeyLZJUCEJUZSKRHQ-XPXRSFDGSA-N
MW492.99 g/mol
LogP7.09
Rot. Bonds7

About 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine

6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine (PubChem CID 144795213) has the molecular formula C30H22ClFN4 and a molecular weight of 492.99 g/mol. Its IUPAC name is 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine
PubChem CID144795213
Molecular FormulaC30H22ClFN4
Molecular Weight492.99 g/mol
Exact Mass492.15
IUPAC Name6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine
SMILES[H]/N=C(\c1ccnc(F)c1)c1cc(Cl)ncc1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H22ClFN4/c31-27-19-25(29(33)21-16-17-34-28(32)18-21)26(20-35-27)36-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20,33,36H/b33-29+
InChIKeyLZJUCEJUZSKRHQ-XPXRSFDGSA-N
XLogP7.09
TPSA61.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.99
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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N-[(2S)-2-amino-3-(2,3-dihydro-1H-indol-3-yl)propyl]-6-chloro-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-amine
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4-[2-(3-Chloro-4-fluoro-phenyl)-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
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CID 122193499
6-[2-[(4-aminocyclohexyl)amino]-5-chloro-4-pyridinyl]-2-N-[(3-fluorophenyl)methyl]pyridine-2,3-diamine
CID 68405063
US20240018122, Example 181
CID 170666416
4'-(4-Chlorophenyl)-2,2':6',2''-terpyridine
CID 10871645
7-chloro-N-[3-[4-[3-[(4-fluorophenyl)methylamino]propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 10961684
4-[5-(4-Chloro-phenyl)-3-(4-fluoro-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 12967031

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine?
The IUPAC name of 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine (CID 144795213) is 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine.
What is the SMILES notation for 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine?
The canonical SMILES for 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine is [H]/N=C(\c1ccnc(F)c1)c1cc(Cl)ncc1NC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine?
The InChIKey is LZJUCEJUZSKRHQ-XPXRSFDGSA-N. The full InChI is InChI=1S/C30H22ClFN4/c31-27-19-25(29(33)21-16-17-34-28(32)18-21)26(20-35-27)36-30(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20,33,36H/b33-29+.
What are the key properties of 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine?
6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine has a molecular weight of 492.99 g/mol, XLogP of 7.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(2-fluoropyridine-4-carboximidoyl)-N-tritylpyridin-3-amine is sourced from PubChem (CID 144795213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).