2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid

C14H11N3O2 — CID 82382049

IUPAC2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccc3cccnn23)ccn1
InChIInChI=1S/C14H11N3O2/c18-14(19)9-11-8-10(5-7-15-11)13-4-3-12-2-1-6-16-17(12)13/h1-8H,9H2,(H,18,19)
InChIKeyBPFKZWJBNQCGGL-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.02
Rot. Bonds3

About 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid

2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid (PubChem CID 82382049) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid.

Molecular Properties

Compound Name2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid
PubChem CID82382049
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccc3cccnn23)ccn1
InChIInChI=1S/C14H11N3O2/c18-14(19)9-11-8-10(5-7-15-11)13-4-3-12-2-1-6-16-17(12)13/h1-8H,9H2,(H,18,19)
InChIKeyBPFKZWJBNQCGGL-UHFFFAOYSA-N
XLogP2.02
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-bromophenyl)-2-pyridinyl]acetic acid
CID 82378249
2-[4-(3-fluorophenyl)-2-pyridinyl]acetic acid
CID 46314293
2-(4-imidazo[1,2-c]pyrimidin-5-yl-2-pyridinyl)acetic acid
CID 82381517
2-(4-imidazo[1,2-a]pyridin-2-yl-2-pyridinyl)acetic acid
CID 82382048
2-pyrrolo[1,2-b]pyridazin-6-ylacetic acid
CID 141230735
2-(4-pyrrolo[2,1-f][1,2,4]triazin-5-yl-2-pyridinyl)acetic acid
CID 82381527
2-(3-imidazo[1,2-b]pyridazin-3-ylphenyl)acetic acid
CID 155917758
2-(4-cyclopropyl-2-pyridinyl)acetic acid
CID 118209456
CID 131857449
CID 131857449
3-(4-phenyl-2-pyridinyl)propanoic acid
CID 115003999
2-(4-cyclobutyloxy-2-pyridinyl)acetic acid
CID 118627309
2-[4-(diethylamino)-2-pyridinyl]acetic acid
CID 83883816

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid?
The IUPAC name of 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid (CID 82382049) is 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid.
What is the SMILES notation for 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid?
The canonical SMILES for 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid is O=C(O)Cc1cc(-c2ccc3cccnn23)ccn1.
What is the InChIKey of 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid?
The InChIKey is BPFKZWJBNQCGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-14(19)9-11-8-10(5-7-15-11)13-4-3-12-2-1-6-16-17(12)13/h1-8H,9H2,(H,18,19).
What are the key properties of 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid?
2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid has a molecular weight of 253.26 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolo[1,2-b]pyridazin-7-yl-2-pyridinyl)acetic acid is sourced from PubChem (CID 82382049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).