5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide

C13H11ClFN3O — CID 59151575

IUPAC5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(F)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-5-11(13(17)19)12(16)18(7-9)6-8-2-1-3-10(15)4-8/h1-5,7,16H,6H2,(H2,17,19)/b16-12-
InChIKeySHVVATKBKDMBED-VBKFSLOCSA-N
MW279.70 g/mol
LogP1.91
Rot. Bonds3

About 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide

5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151575) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID59151575
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(F)c1
InChIInChI=1S/C13H11ClFN3O/c14-9-5-11(13(17)19)12(16)18(7-9)6-8-2-1-3-10(15)4-8/h1-5,7,16H,6H2,(H2,17,19)/b16-12-
InChIKeySHVVATKBKDMBED-VBKFSLOCSA-N
XLogP1.91
TPSA71.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-imino-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 59151603
5-chloro-2-imino-1-[(3-methylphenyl)methyl]pyridine-3-carboxamide;hydrobromide
CID 68662047
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 59151563
5-chloro-1-[(3,5-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534694
5-chloro-2-imino-1-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 68662284
5-chloro-1-[(3-fluoro-4-methoxyphenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151571
1-[(3-chlorophenyl)methyl]-2-imino-5-methylpyridine-3-carboxamide;hydrobromide
CID 68661775
5-chloro-1-[(2,3-difluorophenyl)methyl]-2-iminopyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 87534643
1-[(5-aminothiophen-2-yl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 70994800
1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
CID 68661897
1-[(2-amino-4-chlorophenyl)methyl]-5-chloro-2-iminopyridine-3-carboxamide
CID 89111989
4-chloro-1-[(3-fluorophenyl)methyl]pyrrole-2-carboxylic acid
CID 114603713

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 59151575) is 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cc(Cl)cn1Cc1cccc(F)c1.
What is the InChIKey of 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is SHVVATKBKDMBED-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-9-5-11(13(17)19)12(16)18(7-9)6-8-2-1-3-10(15)4-8/h1-5,7,16H,6H2,(H2,17,19)/b16-12-.
What are the key properties of 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide has a molecular weight of 279.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).