2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid

C14H10BrClN2O3 — CID 107517015

IUPAC2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ncccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClN2O3/c15-11-2-1-7-17-13(11)14(21)18(8-12(19)20)10-5-3-9(16)4-6-10/h1-7H,8H2,(H,19,20)
InChIKeyYXTPSKPAMIBOGE-UHFFFAOYSA-N
MW369.60 g/mol
LogP3.23
Rot. Bonds4

About 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid

2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid (PubChem CID 107517015) has the molecular formula C14H10BrClN2O3 and a molecular weight of 369.60 g/mol. Its IUPAC name is 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid.

Molecular Properties

Compound Name2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
PubChem CID107517015
Molecular FormulaC14H10BrClN2O3
Molecular Weight369.60 g/mol
Exact Mass367.96
IUPAC Name2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ncccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C14H10BrClN2O3/c15-11-2-1-7-17-13(11)14(21)18(8-12(19)20)10-5-3-9(16)4-6-10/h1-7H,8H2,(H,19,20)
InChIKeyYXTPSKPAMIBOGE-UHFFFAOYSA-N
XLogP3.23
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.60
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-bromobenzoyl)-4-chloroanilino)acetic acid
CID 60825460
2-(N-(3-aminopyridine-2-carbonyl)-4-methylanilino)acetic acid
CID 104741894
2-(N-(2-aminobenzoyl)-4-chloroanilino)acetic acid
CID 61214109
2-(4-chloro-N-(2-methylpyrazole-3-carbonyl)anilino)acetic acid
CID 60826661
3-[(3-bromopyridine-2-carbonyl)-propan-2-ylamino]propanoic acid
CID 107517011
2-(N-(3-bromo-4-fluorobenzoyl)anilino)acetic acid
CID 103841255
2-(4-chloro-N-(1-methylpyrrole-2-carbonyl)anilino)acetic acid
CID 60826824
methyl 2-[(3-bromopyridine-2-carbonyl)-ethylamino]acetate
CID 107518830
2-[N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-4-chloroanilino]acetic acid
CID 61205070
3-bromo-N,N-bis(prop-2-enyl)pyridine-2-carboxamide
CID 107517815
3-bromo-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 107517745
2-[4-chloro-N-(phenylcarbamoyl)anilino]acetic acid
CID 60829611

Frequently Asked Questions

What is the IUPAC name of 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid?
The IUPAC name of 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid (CID 107517015) is 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid.
What is the SMILES notation for 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid?
The canonical SMILES for 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid is O=C(O)CN(C(=O)c1ncccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid?
The InChIKey is YXTPSKPAMIBOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O3/c15-11-2-1-7-17-13(11)14(21)18(8-12(19)20)10-5-3-9(16)4-6-10/h1-7H,8H2,(H,19,20).
What are the key properties of 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid?
2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid has a molecular weight of 369.60 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(3-bromopyridine-2-carbonyl)-4-chloroanilino)acetic acid is sourced from PubChem (CID 107517015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).