6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

C18H15FN4O2 — CID 59399338

IUPAC6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccnc(F)n2)n1
InChIInChI=1S/C18H15FN4O2/c1-18(2,15-8-4-6-13(22-15)16(24)25)14-7-3-5-11(21-14)12-9-10-20-17(19)23-12/h3-10H,1-2H3,(H,24,25)
InChIKeyZUSWBKPSBUBFPL-UHFFFAOYSA-N
MW338.34 g/mol
LogP3.10
Rot. Bonds4

About 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid

6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (PubChem CID 59399338) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
PubChem CID59399338
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid
SMILESCC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccnc(F)n2)n1
InChIInChI=1S/C18H15FN4O2/c1-18(2,15-8-4-6-13(22-15)16(24)25)14-7-3-5-11(21-14)12-9-10-20-17(19)23-12/h3-10H,1-2H3,(H,24,25)
InChIKeyZUSWBKPSBUBFPL-UHFFFAOYSA-N
XLogP3.10
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,8-Naphthyridine-2-carboxylic acid
CID 735156
6-(3-Fluoro-4-methylphenyl)pyrimidine-4-carboxylic acid
CID 71282761
6-(Pyridin-3-yl)pyrimidine-4-carboxylic acid
CID 57569654
4-[2-(4-Pyridinylamino)-4-pyrimidinyl]benzoic acid
CID 44453853
4-[2-[(2-Amino-4-pyridinyl)amino]-4-pyrimidinyl]benzoic acid
CID 44453858
US9969726, Example 69
CID 118577294
US9969726, Example 81
CID 118586685
6-Methyl-2'-[(2-methylpyrimidin-4-yl)amino]-3,4'-bipyridine-5-carboxylic acid
CID 118237908
N-ethyl-N-(2-((4-(2-hydroxypropan-2-yl)pyrimidin-2-yl)(methyl)amino)ethyl)-3-phenylpicolinamide
CID 121416939
4-({[4-(Pyridin-3-yl)pyrimidin-2-yl]amino}methyl)benzoic acid
CID 59736947
3-Methyl-1,8-naphthyridine-2-carboxylic acid
CID 83668862
2-[2-(4,4-Difluoropiperidin-1-yl)pyrimidin-4-yl]pyridine-4-carboxylic acid
CID 70742653

Frequently Asked Questions

What is the IUPAC name of 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid (CID 59399338) is 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is CC(C)(c1cccc(C(=O)O)n1)c1cccc(-c2ccnc(F)n2)n1.
What is the InChIKey of 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
The InChIKey is ZUSWBKPSBUBFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-18(2,15-8-4-6-13(22-15)16(24)25)14-7-3-5-11(21-14)12-9-10-20-17(19)23-12/h3-10H,1-2H3,(H,24,25).
What are the key properties of 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid?
6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid has a molecular weight of 338.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[6-(2-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 59399338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).