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

C13H11ClFN3O — CID 59151609

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cccn1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H11ClFN3O/c14-10-5-1-3-8(11(10)15)7-18-6-2-4-9(12(18)16)13(17)19/h1-6,16H,7H2,(H2,17,19)/b16-12-
InChIKeyGHOVCALWUACGBJ-VBKFSLOCSA-N
MW279.70 g/mol
LogP1.91
Rot. Bonds3

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

1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide (PubChem CID 59151609) has the molecular formula C13H11ClFN3O and a molecular weight of 279.70 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
PubChem CID59151609
Molecular FormulaC13H11ClFN3O
Molecular Weight279.70 g/mol
Exact Mass279.06
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
SMILES[H]/N=c1/c(C(N)=O)cccn1Cc1cccc(Cl)c1F
InChIInChI=1S/C13H11ClFN3O/c14-10-5-1-3-8(11(10)15)7-18-6-2-4-9(12(18)16)13(17)19/h1-6,16H,7H2,(H2,17,19)/b16-12-
InChIKeyGHOVCALWUACGBJ-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

1-[(3-chlorophenyl)methyl]-2-iminopyridine-3-carboxamide;hydrobromide
CID 68661897
1-[1-[(3-chloro-2-fluorophenyl)methyl]pyrrol-2-yl]ethanamine
CID 102856756
9-[(3-chloro-2-fluorophenyl)methyl]-8-fluorocarbazole-4-carboxamide
CID 174417772
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
5-chloro-1-[(3-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide
CID 59151575
[1-[(3-chloro-2-fluorophenyl)methyl]indol-7-yl]methanamine
CID 102861922
1-[(3-chloro-2-fluorophenyl)methyl]-7-ethylindole
CID 102861491
5-[(3-chloro-2-fluorophenyl)methylamino]-2,4-difluorobenzamide
CID 114487296
5-bromo-1-[(3-chloro-2-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 102856354
2-bromo-3-(3-chloro-2-fluorophenyl)propanamide
CID 104513002
2-fluoro-3-[(3-methyl-2-oxo-1-pyridinyl)methyl]benzenecarbothioamide
CID 107115868
2-fluoro-3-[(2-oxo-1-pyridinyl)methyl]benzenecarbothioamide
CID 107115791

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide (CID 59151609) is 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide is [H]/N=c1/c(C(N)=O)cccn1Cc1cccc(Cl)c1F.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
The InChIKey is GHOVCALWUACGBJ-VBKFSLOCSA-N. The full InChI is InChI=1S/C13H11ClFN3O/c14-10-5-1-3-8(11(10)15)7-18-6-2-4-9(12(18)16)13(17)19/h1-6,16H,7H2,(H2,17,19)/b16-12-.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide?
1-[(3-chloro-2-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 1-[(3-chloro-2-fluorophenyl)methyl]-2-iminopyridine-3-carboxamide is sourced from PubChem (CID 59151609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).