2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide

C14H10ClFN4O — CID 68794745

IUPAC2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1Nc1cncc2[nH]c(Cl)cc12
InChIInChI=1S/C14H10ClFN4O/c15-12-4-7-10(5-18-6-11(7)20-12)19-9-3-1-2-8(16)13(9)14(17)21/h1-6,19-20H,(H2,17,21)
InChIKeyREZNAJRIQLEIJU-UHFFFAOYSA-N
MW304.71 g/mol
LogP3.20
Rot. Bonds3

About 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide

2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide (PubChem CID 68794745) has the molecular formula C14H10ClFN4O and a molecular weight of 304.71 g/mol. Its IUPAC name is 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide.

Molecular Properties

Compound Name2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide
PubChem CID68794745
Molecular FormulaC14H10ClFN4O
Molecular Weight304.71 g/mol
Exact Mass304.05
IUPAC Name2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide
SMILESNC(=O)c1c(F)cccc1Nc1cncc2[nH]c(Cl)cc12
InChIInChI=1S/C14H10ClFN4O/c15-12-4-7-10(5-18-6-11(7)20-12)19-9-3-1-2-8(16)13(9)14(17)21/h1-6,19-20H,(H2,17,21)
InChIKeyREZNAJRIQLEIJU-UHFFFAOYSA-N
XLogP3.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.71
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide?
The IUPAC name of 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide (CID 68794745) is 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide.
What is the SMILES notation for 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide?
The canonical SMILES for 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide is NC(=O)c1c(F)cccc1Nc1cncc2[nH]c(Cl)cc12.
What is the InChIKey of 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide?
The InChIKey is REZNAJRIQLEIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN4O/c15-12-4-7-10(5-18-6-11(7)20-12)19-9-3-1-2-8(16)13(9)14(17)21/h1-6,19-20H,(H2,17,21).
What are the key properties of 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide?
2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide has a molecular weight of 304.71 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-1H-pyrrolo[2,3-c]pyridin-4-yl)amino]-6-fluorobenzamide is sourced from PubChem (CID 68794745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).